[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H10BrFN2O3 MolecularWeight: 329.121803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)OCC(=O)NCCC#N)F

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)OCC(=O)NCCC#N)F

InChI

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