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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(2,4-dinitrophenoxy)benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-(2,4-dinitrophenoxy)benzoate CAS Name: 3-(2,4-dinitrophenoxy)benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-(2,4-dinitrophenoxy)benzoate Traditional Name: 3-(2,4-dinitrophenoxy)benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H16N2O8 MolecularWeight: 436.37104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=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)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O8/c1-14-5-7-15(8-6-14)20(25)13-31-22(26)16-3-2-4-18(11-16)32-21-10-9-17(23(27)28)12-19(21)24(29)30/h2-12H,13H2,1H3