1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O4/c1-15-8-11-20(14-16(15)2)26-23(18-6-4-3-5-7-18)21(24(28)29)22(25-26)17-9-12-19(13-10-17)27(30)31/h3-14H,1-2H3,(H,28,29)