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

Systemtic Name: [(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [(1S)-2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H12BrClFNO3 MolecularWeight: 400.626783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=C(C=C2)Br)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H12BrClFNO3/c1-9(15(21)20-14-5-3-2-4-12(14)18)23-16(22)11-7-6-10(17)8-13(11)19/h2-9H,1H3,(H,20,21)/t9-/m0/s1