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

Systemtic Name: 3-[2-[(E)-2-cyano-3-[(2,3-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(E)-2-cyano-3-(2,3-dimethylanilino)-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(E)-2-cyano-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(E)-2-cyano-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(E)-2-cyano-3-(2,3-dimethylanilino)-3-keto-prop-1-enyl]pyrrol-1-yl]benzoic acid Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3/c1-15-6-3-10-21(16(15)2)25-22(27)18(14-24)13-20-9-5-11-26(20)19-8-4-7-17(12-19)23(28)29/h3-13H,1-2H3,(H,25,27)(H,28,29)/b18-13+