cyclohexane; 5-nitro-3-oxidanidyl-1-oxidanylidene-2H-benzimidazol-1-ium-4,7-dione

Systemtic Name: cyclohexane; 5-nitro-3-oxidanidyl-1-oxidanylidene-2H-benzimidazol-1-ium-4,7-dione Openeye Name: cyclohexane; 5-nitro-3-oxido-1-oxo-2H-benzimidazol-1-ium-4,7-dione CAS Name: cyclohexane; 5-nitro-3-oxido-1-oxo-2H-benzimidazol-1-ium-4,7-dione IUPAC Name: cyclohexane; 5-nitro-3-oxido-1-oxo-2H-benzimidazol-1-ium-4,7-dione Traditional Name: cyclohexane; 1-keto-5-nitro-3-oxido-2H-benzimidazol-1-ium-4,7-quinone Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC1.C1N(C2=C([N+]1=O)C(=O)C=C(C2=O)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCCCC1.C1N(C2=C([N+]1=O)C(=O)C=C(C2=O)[N+](=O)[O-])[O-]

InChI

InChI=1S/C7H3N3O6.C6H12/c11-4-1-3(10(15)16)7(12)6-5(4)8(13)2-9(6)14;1-2-4-6-5-3-1/h1H,2H2;1-6H2