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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O7/c1-14-9-11-16(12-10-14)22(28)15(2)34-25(31)17-5-3-6-18(13-17)26-23(29)19-7-4-8-20(27(32)33)21(19)24(26)30/h3-13,15H,1-2H3