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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-[(2,4-dinitrophenyl)carbonylamino]benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate CAS Name: 3-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dinitrobenzoyl)amino]benzoate Traditional Name: 3-[(2,4-dinitrobenzoyl)amino]benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C23H17N3O8 MolecularWeight: 463.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O8/c1-14-5-7-15(8-6-14)21(27)13-34-23(29)16-3-2-4-17(11-16)24-22(28)19-10-9-18(25(30)31)12-20(19)26(32)33/h2-12H,13H2,1H3,(H,24,28)