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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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