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

Systemtic Name: 3-[2-[(E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(E)-2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(E)-2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]pyrrol-1-yl]benzoic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CN2C3=CC=CC(=C3)C(=O)O)/C#N

InChI

InChI=1S/C22H17N3O3/c1-15-6-2-3-10-20(15)24-21(26)17(14-23)13-19-9-5-11-25(19)18-8-4-7-16(12-18)22(27)28/h2-13H,1H3,(H,24,26)(H,27,28)/b17-13+