4-nitro-4-oxidanyl-3,3a-dihydro-2-benzofuran-1-one

Systemtic Name: 4-nitro-4-oxidanyl-3,3a-dihydro-2-benzofuran-1-one Openeye Name: 4-hydroxy-4-nitro-3,3a-dihydroisobenzofuran-1-one CAS Name: 4-hydroxy-4-nitro-3,3a-dihydroisobenzofuran-1-one IUPAC Name: 4-hydroxy-4-nitro-3,3a-dihydro-2-benzofuran-1-one Traditional Name: 4-hydroxy-4-nitro-3,3a-dihydroisobenzofuran-1-one Formula: C8H7NO5 MolecularWeight: 197.14488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=CC=CC2([N+](=O)[O-])O)C(=O)O1

Isomeric SMILES

C1C2C(=CC=CC2([N+](=O)[O-])O)C(=O)O1

InChI

InChI=1S/C8H7NO5/c10-7-5-2-1-3-8(11,9(12)13)6(5)4-14-7/h1-3,6,11H,4H2