[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanylbenzoate

Systemtic Name: [(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanylbenzoate Openeye Name: [(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C16H13BrN2O5/c1-10(24-16(21)13-7-2-3-8-14(13)17)15(20)18-11-5-4-6-12(9-11)19(22)23/h2-10H,1H3,(H,18,20)/t10-/m1/s1