5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoindoline-1,3-quinone Formula: C17H11N3O8 MolecularWeight: 385.28454

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O8/c21-16-13-2-1-11(19(23)24)5-14(13)17(22)18(16)6-9-3-12(20(25)26)4-10-7-27-8-28-15(9)10/h1-5H,6-8H2