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

Systemtic Name: 4-[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Openeye Name: 4-[3-(3-anilino-2-cyano-3-oxo-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid CAS Name: 4-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoic acid IUPAC Name: 4-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2,5-dimethylpyrrol-1-yl]-3-methylbenzoic acid Traditional Name: 4-[3-(3-anilino-2-cyano-3-keto-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3/c1-15-11-18(24(29)30)9-10-22(15)27-16(2)12-19(17(27)3)13-20(14-25)23(28)26-21-7-5-4-6-8-21/h4-13H,1-3H3,(H,26,28)(H,29,30)