2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C17H16N2O6/c20-16-13-3-1-2-4-14(13)17(21)18(16)7-10-5-12(19(22)23)6-11-8-24-9-25-15(10)11/h1-2,5-6,13-14H,3-4,7-9H2