[(2S)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-2-(3-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H14BrFN2O3 MolecularWeight: 381.196363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)OC(=O)C2=C(C=C(C=C2)F)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)C2=C(C=C(C=C2)F)N

InChI

InChI=1S/C16H14BrFN2O3/c1-9(15(21)20-12-4-2-3-10(17)7-12)23-16(22)13-6-5-11(18)8-14(13)19/h2-9H,19H2,1H3,(H,20,21)/t9-/m0/s1