[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C16H14BrN3O5 MolecularWeight: 408.20346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O5/c1-9(25-16(22)11-8-10(17)6-7-12(11)18)15(21)19-13-4-2-3-5-14(13)20(23)24/h2-9H,18H2,1H3,(H,19,21)/t9-/m1/s1