(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(o-tolyl)isoindoline-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H18N2O8 MolecularWeight: 474.41902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C25H18N2O8/c1-14-4-2-3-5-21(14)26-23(28)19-7-6-15(10-20(19)24(26)29)25(30)34-12-17-9-18(27(31)32)8-16-11-33-13-35-22(16)17/h2-10H,11-13H2,1H3