3-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one; sodium

Systemtic Name: 3-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one; sodium Openeye Name: 2-hydroxy-3-nitro-cyclohepta-2,4,6-trien-1-one; sodium CAS Name: 2-hydroxy-3-nitro-1-cyclohepta-2,4,6-trienone; sodium IUPAC Name: 2-hydroxy-3-nitrocyclohepta-2,4,6-trien-1-one; sodium Traditional Name: 2-hydroxy-3-nitro-cyclohepta-2,4,6-trien-1-one; sodium Formula: C7H5NNaO4 MolecularWeight: 190.10867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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