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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-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-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-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:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O8/c28-23-20-7-6-16(10-21(20)24(29)26(23)11-15-4-2-1-3-5-15)25(30)34-13-18-9-19(27(31)32)8-17-12-33-14-35-22(17)18/h1-10H,11-14H2