3-[3-[2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[3-[2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(=O)O)C)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(=O)O)C)C#N

InChI

InChI=1S/C24H21N3O3/c1-15-7-4-5-10-22(15)26-23(28)20(14-25)12-19-11-16(2)27(17(19)3)21-9-6-8-18(13-21)24(29)30/h4-13H,1-3H3,(H,26,28)(H,29,30)