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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one

Preferred term

4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1h-pyrazol-3-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H16BrN3O3

inchi

  • InChI=1S/C18H16BrN3O3/c1-12-17(18(23)22(20-12)15-5-3-2-4-6-15)16(11-21(24)25)13-7-9-14(19)10-8-13/h2-10,16,20H,11H2,1H3

inchikey

  • MAYRVCMDSVVHFK-UHFFFAOYSA-N

mass

  • 402.242

monoisotopicmass

  • 401.03750

smiles

  • CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107237

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