[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)carbonylamino]benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)carbonylamino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-[(4-bromobenzoyl)amino]benzoate CAS Name: 4-[[(4-bromophenyl)-oxomethyl]amino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[(4-bromobenzoyl)amino]benzoate Traditional Name: 4-[(4-bromobenzoyl)amino]benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C22H15BrN2O6 MolecularWeight: 483.2683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H15BrN2O6/c23-17-8-4-14(5-9-17)21(27)24-18-10-6-15(7-11-18)22(28)31-13-20(26)16-2-1-3-19(12-16)25(29)30/h1-12H,13H2,(H,24,27)