3-[3-[2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[3-[2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[2-cyano-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H21N3O4/c1-15-11-18(16(2)27(15)21-6-4-5-17(13-21)24(29)30)12-19(14-25)23(28)26-20-7-9-22(31-3)10-8-20/h4-13H,1-3H3,(H,26,28)(H,29,30)