[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C24H16N2O7 MolecularWeight: 444.39304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H16N2O7/c1-14-9-11-15(12-10-14)20(27)13-33-24(30)16-5-2-3-7-18(16)25-22(28)17-6-4-8-19(26(31)32)21(17)23(25)29/h2-12H,13H2,1H3