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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-13-5-3-6-14(11-13)7-8-16(20)21-12-15(19)18(2)10-4-9-17/h3,5-8,11H,4,10,12H2,1-2H3/b8-7+