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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H13BrFNO3 MolecularWeight: 318.138923

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(C=C(C=C1)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrFNO3/c1-3-15-11(16)7(2)18-12(17)9-5-4-8(14)6-10(9)13/h4-7H,3H2,1-2H3,(H,15,16)/t7-/m0/s1