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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(2,4-dinitrophenyl)carbonylamino]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-[(2,4-dinitrobenzoyl)amino]benzoate CAS Name: 4-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-[(2,4-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(2,4-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=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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