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

Systemtic Name: O4-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C17H17FN2O5 MolecularWeight: 348.325683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1F

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1F

InChI

InChI=1S/C17H17FN2O5/c1-2-24-16(22)8-9-17(23)25-12-15(21)20(11-5-10-19)14-7-4-3-6-13(14)18/h3-4,6-9H,2,5,11-12H2,1H3/b9-8+