1-(4-methylphenyl)-3-(4-nitro-3-oxidanyl-phenyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)-3-(4-nitro-3-oxidanyl-phenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-hydroxy-4-nitro-phenyl)-5-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-(3-hydroxy-4-nitrophenyl)-1-(4-methylphenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-hydroxy-4-nitrophenyl)-1-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(3-hydroxy-4-nitro-phenyl)-5-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O5/c1-14-7-10-17(11-8-14)25-22(15-5-3-2-4-6-15)20(23(28)29)21(24-25)16-9-12-18(26(30)31)19(27)13-16/h2-13,27H,1H3,(H,28,29)