[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [(1S)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C14H14BrFN2O3 MolecularWeight: 357.174963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C1=C(C=C(C=C1)Br)F

Isomeric SMILES

C[C@@H](C(=O)N(C)CCC#N)OC(=O)C1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C14H14BrFN2O3/c1-9(13(19)18(2)7-3-6-17)21-14(20)11-5-4-10(15)8-12(11)16/h4-5,8-9H,3,7H2,1-2H3/t9-/m0/s1