3-[3-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: 3-[3-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 3-[3-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 3-[3-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-[(E)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C24H20N3O3- MolecularWeight: 398.4339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(=O)[O-])C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=CC(=C3)C(=O)[O-])C)/C#N

InChI

InChI=1S/C24H21N3O3/c1-15-7-9-21(10-8-15)26-23(28)20(14-25)12-19-11-16(2)27(17(19)3)22-6-4-5-18(13-22)24(29)30/h4-13H,1-3H3,(H,26,28)(H,29,30)/p-1/b20-12+