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

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-[(2,4-dinitrophenyl)carbonylamino]benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate CAS Name: 3-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate Traditional Name: 3-[(2,4-dinitrobenzoyl)amino]benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C22H14N4O10 MolecularWeight: 494.36736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N4O10/c27-20(13-4-6-16(7-5-13)24(30)31)12-36-22(29)14-2-1-3-15(10-14)23-21(28)18-9-8-17(25(32)33)11-19(18)26(34)35/h1-11H,12H2,(H,23,28)