[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [2-[N-(2-cyanoethyl)anilino]-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=CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H20N2O3/c1-17-8-10-18(11-9-17)12-13-21(25)26-16-20(24)23(15-5-14-22)19-6-3-2-4-7-19/h2-4,6-13H,5,15-16H2,1H3/b13-12+