4-[[3-methyl-1-(2-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)O)C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)O)C(=N2)C

InChI

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