5-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-5-nitro-cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-5-nitro-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-5-nitrocyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-5-nitro-cyclohepta-2,4,6-trien-1-one Formula: C7H5NO4 MolecularWeight: 167.1189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC=C1[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=O)C(=CC=C1[N+](=O)[O-])O

InChI

InChI=1S/C7H5NO4/c9-6-3-1-5(8(11)12)2-4-7(6)10/h1-4H,(H,9,10)