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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H20N2O8 MolecularWeight: 488.4456

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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)CCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O8/c29-24-21-7-6-17(12-22(21)25(30)27(24)9-8-16-4-2-1-3-5-16)26(31)35-14-19-11-20(28(32)33)10-18-13-34-15-36-23(18)19/h1-7,10-12H,8-9,13-15H2