[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(phenylcarbonyl)benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(phenylcarbonyl)benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H19BrN2O6 MolecularWeight: 559.36426

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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=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H19BrN2O6/c29-23-17-20(31(35)36)15-16-24(23)30-27(33)26(19-11-5-2-6-12-19)37-28(34)22-14-8-7-13-21(22)25(32)18-9-3-1-4-10-18/h1-17,26H,(H,30,33)