6-nitro-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid

Systemtic Name: 6-nitro-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid Openeye Name: 6-nitro-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid CAS Name: 6-nitro-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxylic acid IUPAC Name: 6-nitro-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxylic acid Traditional Name: 6-nitro-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxylic acid Formula: C10H9NO6 MolecularWeight: 239.18156

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC(=C2OC1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COC2=C(C=CC(=C2OC1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H9NO6/c12-10(13)6-2-3-7(11(14)15)9-8(6)16-4-1-5-17-9/h2-3H,1,4-5H2,(H,12,13)