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

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)carbonylamino]benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-[(3-nitrobenzoyl)amino]benzoate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(3-nitrobenzoyl)amino]benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C22H15N3O8 MolecularWeight: 449.3698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O8/c26-20(14-8-10-16(11-9-14)24(29)30)13-33-22(28)18-6-1-2-7-19(18)23-21(27)15-4-3-5-17(12-15)25(31)32/h1-12H,13H2,(H,23,27)