[(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-benzamidoethanoate

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-benzamidoethanoate Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [(1R)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H18BrN3O6 MolecularWeight: 512.30952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H18BrN3O6/c24-18-13-17(27(31)32)11-12-19(18)26-23(30)21(15-7-3-1-4-8-15)33-20(28)14-25-22(29)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,25,29)(H,26,30)/t21-/m1/s1