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

Systemtic Name: [(2S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13BrF2N2O3 MolecularWeight: 399.186826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrF2N2O3/c1-8(15(22)21-14-5-2-9(17)6-12(14)19)24-16(23)11-4-3-10(18)7-13(11)20/h2-8H,20H2,1H3,(H,21,22)/t8-/m0/s1