[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H13FN2O4 MolecularWeight: 280.251723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC#N)F

InChI

InChI=1S/C13H13FN2O4/c1-19-11-4-3-9(7-10(11)14)13(18)20-8-12(17)16-6-2-5-15/h3-4,7H,2,6,8H2,1H3,(H,16,17)