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

Systemtic Name: 3-[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-(3-anilino-2-cyano-3-oxo-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-(3-anilino-2-cyano-3-keto-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C23H19N3O3 MolecularWeight: 385.41526

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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=CC=C3

Isomeric SMILES

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

InChI

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