O4-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5/c1-4-25-18(23)6-7-19(24)26-13-17(22)21(9-5-8-20)16-11-14(2)10-15(3)12-16/h6-7,10-12H,4-5,9,13H2,1-3H3/b7-6+