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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H10BrFN2O3 MolecularWeight: 329.121803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Br)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=C(C=C1F)Br)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H10BrFN2O3/c13-10-6-8(14)2-3-9(10)12(18)19-7-11(17)16-5-1-4-15/h2-3,6H,1,5,7H2,(H,16,17)