O4-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-2-23-16(21)9-10-17(22)24-13-15(20)19(12-6-11-18)14-7-4-3-5-8-14/h3-5,7-10H,2,6,12-13H2,1H3/b10-9+