[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C=C/C(=O)OC(C)C(=O)N(CCC#N)C1=CC=CC=C1

InChI

InChI=1S/C18H20N2O3/c1-3-4-6-12-17(21)23-15(2)18(22)20(14-9-13-19)16-10-7-5-8-11-16/h3-8,10-12,15H,9,14H2,1-2H3/b4-3+,12-6+