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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > 4-[4-[3-(4-methoxyphenyl)-1h-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > 4-[4-[3-(4-methoxyphenyl)-1h-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > 4-[4-[3-(4-methoxyphenyl)-1h-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > 4-[4-[3-(4-methoxyphenyl)-1h-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl ester

Preferred term

4-[4-[3-(4-methoxyphenyl)-1h-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C23H24N4O5

inchi

  • InChI=1S/C23H24N4O5/c1-31-18-6-3-15(4-7-18)19-14-20(25-24-19)16-9-11-26(12-10-16)21-8-5-17(23(28)32-2)13-22(21)27(29)30/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,25)

inchikey

  • ZMIRPKQRKYFMDH-UHFFFAOYSA-N

mass

  • 436.461

monoisotopicmass

  • 436.17467

smiles

  • COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114354

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