sodium 6-(imidazol-1-ylmethyl)-1H-benzimidazole-2-carboxylate

Systemtic Name: sodium 6-(imidazol-1-ylmethyl)-1H-benzimidazole-2-carboxylate Openeye Name: sodium 6-(imidazol-1-ylmethyl)-1H-benzimidazole-2-carboxylate CAS Name: sodium 6-(1-imidazolylmethyl)-1H-benzimidazole-2-carboxylate IUPAC Name: sodium 6-(imidazol-1-ylmethyl)-1H-benzimidazole-2-carboxylate Traditional Name: sodium 6-(imidazol-1-ylmethyl)-1H-benzimidazole-2-carboxylate Formula: C12H9N4NaO2 MolecularWeight: 264.21523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CN3C=CN=C3)NC(=N2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1CN3C=CN=C3)NC(=N2)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H10N4O2.Na/c17-12(18)11-14-9-2-1-8(5-10(9)15-11)6-16-4-3-13-7-16;/h1-5,7H,6H2,(H,14,15)(H,17,18);/q;+1/p-1