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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-15-4-6-16(7-5-15)8-9-18(23)24-14-17(22)21(12-2-10-19)13-3-11-20/h4-9H,2-3,12-14H2,1H3/b9-8+