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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[(2,4-dinitrophenyl)carbonylamino]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[(2,4-dinitrobenzoyl)amino]benzoate CAS Name: 2-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-[(2,4-dinitrobenzoyl)amino]benzoate Traditional Name: 2-[(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=C(C(=C1)C(=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=C(C(=C1)C(=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/c23-14-7-5-13(6-8-14)20(27)12-34-22(29)16-3-1-2-4-18(16)24-21(28)17-10-9-15(25(30)31)11-19(17)26(32)33/h1-11H,12H2,(H,24,28)