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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-phenylazanylbenzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-anilinobenzoate CAS Name: 2-anilinobenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-anilinobenzoate Traditional Name: 2-anilinobenzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H20BrN3O5 MolecularWeight: 546.3688

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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=C3NC4=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=C3NC4=CC=CC=C4

InChI

InChI=1S/C27H20BrN3O5/c28-22-17-20(31(34)35)15-16-24(22)30-26(32)25(18-9-3-1-4-10-18)36-27(33)21-13-7-8-14-23(21)29-19-11-5-2-6-12-19/h1-17,25,29H,(H,30,32)