dimethyl 2-methyl-1H-benzimidazol-1-ium-5,6-dicarboxylate

Systemtic Name: dimethyl 2-methyl-1H-benzimidazol-1-ium-5,6-dicarboxylate Openeye Name: dimethyl 2-methyl-1H-benzimidazol-1-ium-5,6-dicarboxylate CAS Name: 2-methyl-1H-benzimidazol-1-ium-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-methyl-1H-benzimidazol-1-ium-5,6-dicarboxylate Traditional Name: 2-methyl-1H-benzimidazol-1-ium-5,6-dicarboxylic acid dimethyl ester Formula: C12H13N2O4+ MolecularWeight: 249.24262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C([NH2+]1)C=C(C(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NC2=C([NH2+]1)C=C(C(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H12N2O4/c1-6-13-9-4-7(11(15)17-2)8(12(16)18-3)5-10(9)14-6/h4-5H,1-3H3,(H,13,14)/p+1