[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c1-4-6-17(21)22-12-16(20)19(8-5-7-18)15-10-13(2)9-14(3)11-15/h4,6,9-11H,5,8,12H2,1-3H3/b6-4+