[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C21H20N2O3/c1-14-7-9-17(10-8-14)11-18(12-22)21(25)26-13-19(24)23-20-15(2)5-4-6-16(20)3/h4-11H,13H2,1-3H3,(H,23,24)/b18-11+