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

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methanoylbenzoate Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [(1R)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H15BrN2O6 MolecularWeight: 483.2683

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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)C3=CC=C(C=C3)C=O

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN2O6/c23-18-12-17(25(29)30)10-11-19(18)24-21(27)20(15-4-2-1-3-5-15)31-22(28)16-8-6-14(13-26)7-9-16/h1-13,20H,(H,24,27)/t20-/m1/s1