8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Systemtic Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Openeye Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid CAS Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid IUPAC Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Traditional Name: 8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid Formula: C10H9NO6 MolecularWeight: 239.18156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO6/c12-10(13)7-4-6(11(14)15)5-8-9(7)17-3-1-2-16-8/h4-5H,1-3H2,(H,12,13)