3-[[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoic acid

Systemtic Name: 3-[[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzoic acid Openeye Name: 3-[[(Z)-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]amino]benzoic acid CAS Name: 3-[[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]amino]benzoic acid IUPAC Name: 3-[[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]amino]benzoic acid Traditional Name: 3-[[(Z)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methyl]amino]benzoic acid Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=CC(=C3)C(=O)O)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\NC3=CC=CC(=C3)C(=O)O)/C(=N2)C

InChI

InChI=1S/C19H17N3O3/c1-12-6-8-16(9-7-12)22-18(23)17(13(2)21-22)11-20-15-5-3-4-14(10-15)19(24)25/h3-11,20H,1-2H3,(H,24,25)/b17-11-