[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-[(3,5-dinitrophenyl)carbonylamino]benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-[(3,5-dinitrophenyl)carbonylamino]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-[(3,5-dinitrobenzoyl)amino]benzoate CAS Name: 3-[[(3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-[(3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 3-[(3,5-dinitrobenzoyl)amino]benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C22H14BrN3O8 MolecularWeight: 528.26586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14BrN3O8/c23-16-6-4-13(5-7-16)20(27)12-34-22(29)14-2-1-3-17(8-14)24-21(28)15-9-18(25(30)31)11-19(10-15)26(32)33/h1-11H,12H2,(H,24,28)