8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C9H10N2O6S MolecularWeight: 274.2505

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)[N+](=O)[O-])S(=O)(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)[N+](=O)[O-])S(=O)(=O)N)OC1

InChI

InChI=1S/C9H10N2O6S/c10-18(14,15)9-5-8-7(4-6(9)11(12)13)16-2-1-3-17-8/h4-5H,1-3H2,(H2,10,14,15)