[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C(=CC2=C(N(C(=C2)C)C3CC3)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)/C(=C/C2=C(N(C(=C2)C)C3CC3)C)/C#N

InChI

InChI=1S/C22H23N3O3/c1-14-5-4-6-19(9-14)24-21(26)13-28-22(27)18(12-23)11-17-10-15(2)25(16(17)3)20-7-8-20/h4-6,9-11,20H,7-8,13H2,1-3H3,(H,24,26)/b18-11+