[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H12BrFN2O5 MolecularWeight: 411.179283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrFN2O5/c1-9(15(21)19-12-5-3-11(18)4-6-12)25-16(22)10-2-7-13(17)14(8-10)20(23)24/h2-9H,1H3,(H,19,21)/t9-/m1/s1