[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H13BrFNO3 MolecularWeight: 330.149623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=C(C=C(C=C1)Br)F

Isomeric SMILES

C[C@@H](C(=O)NCC=C)OC(=O)C1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C13H13BrFNO3/c1-3-6-16-12(17)8(2)19-13(18)10-5-4-9(14)7-11(10)15/h3-5,7-8H,1,6H2,2H3,(H,16,17)/t8-/m0/s1