[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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