1H-benzimidazol-1-ium; 3,5-dinitrobenzoate

Systemtic Name: 1H-benzimidazol-1-ium; 3,5-dinitrobenzoate Openeye Name: 1H-benzimidazol-1-ium; 3,5-dinitrobenzoate CAS Name: 1H-benzimidazol-1-ium; 3,5-dinitrobenzoate IUPAC Name: 1H-benzimidazol-1-ium; 3,5-dinitrobenzoate Traditional Name: 1H-benzimidazol-1-ium; 3,5-dinitrobenzoate Formula: C14H10N4O6 MolecularWeight: 330.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH2+]C=N2.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH2+]C=N2.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C7H4N2O6.C7H6N2/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-4-7-6(3-1)8-5-9-7/h1-3H,(H,10,11);1-5H,(H,8,9)