[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H10F2N2O3 MolecularWeight: 268.216206

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)F)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=C(C=C(C=C1F)F)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H10F2N2O3/c13-9-4-8(5-10(14)6-9)12(18)19-7-11(17)16-3-1-2-15/h4-6H,1,3,7H2,(H,16,17)