[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(2,4-dinitrophenyl)carbonylamino]benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(2,4-dinitrophenyl)carbonylamino]benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-[(2,4-dinitrobenzoyl)amino]benzoate CAS Name: 4-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-[(2,4-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(2,4-dinitrobenzoyl)amino]benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C24H19N3O8 MolecularWeight: 477.42296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O8/c1-14-3-4-15(2)20(11-14)22(28)13-35-24(30)16-5-7-17(8-6-16)25-23(29)19-10-9-18(26(31)32)12-21(19)27(33)34/h3-12H,13H2,1-2H3,(H,25,29)