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

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]benzoic acid Openeye Name: 4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]benzoic acid CAS Name: 4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]benzoic acid IUPAC Name: 4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]benzoic acid Traditional Name: 4-[[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]benzoic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-12-4-9-17(10-13(12)2)23-19(24)18(14(3)22-23)11-21-16-7-5-15(6-8-16)20(25)26/h4-11,21H,1-3H3,(H,25,26)