2-[[3-methyl-1-(4-methylphenyl)carbonyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 2-[[3-methyl-1-(4-methylphenyl)carbonyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[3-methyl-1-(4-methylbenzoyl)-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[3-methyl-1-[(4-methylphenyl)-oxomethyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[3-methyl-1-(4-methylbenzoyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[(5-keto-3-methyl-1-p-toluoyl-2-pyrazolin-4-yl)azo]benzoic acid Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H16N4O4/c1-11-7-9-13(10-8-11)17(24)23-18(25)16(12(2)22-23)21-20-15-6-4-3-5-14(15)19(26)27/h3-10,16H,1-2H3,(H,26,27)