3-[2-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(E)-2-cyano-3-keto-3-(p-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=C(C=C1)NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CN2C3=CC=CC(=C3)C(=O)O)/C#N

InChI

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