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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > hydroxycoumarin > 3-[3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylbutyl]-4-hydroxy-1-benzopyran-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > hydroxycoumarin > 3-[3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylbutyl]-4-hydroxy-1-benzopyran-2-one
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > hydroxycoumarin > 3-[3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylbutyl]-4-hydroxy-1-benzopyran-2-one

Preferred term

3-[3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylbutyl]-4-hydroxy-1-benzopyran-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C25H20N4O7

inchi

  • InChI=1S/C25H20N4O7/c1-15(26-27-20-12-11-17(28(32)33)14-21(20)29(34)35)13-19(16-7-3-2-4-8-16)23-24(30)18-9-5-6-10-22(18)36-25(23)31/h2-12,14,19,27,30H,13H2,1H3

inchikey

  • KBNQBCQYQHNTPV-UHFFFAOYSA-N

mass

  • 488.450

monoisotopicmass

  • 488.13320

smiles

  • CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107925

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