2-bromanyl-1-methyl-imidazole-4,5-dicarboxylic acid

Systemtic Name: 2-bromanyl-1-methyl-imidazole-4,5-dicarboxylic acid Openeye Name: 2-bromo-1-methyl-imidazole-4,5-dicarboxylic acid CAS Name: 2-bromo-1-methylimidazole-4,5-dicarboxylic acid IUPAC Name: 2-bromo-1-methylimidazole-4,5-dicarboxylic acid Traditional Name: 2-bromo-1-methyl-imidazole-4,5-dicarboxylic acid Formula: C6H5BrN2O4 MolecularWeight: 249.0189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1Br)C(=O)O)C(=O)O

Isomeric SMILES

CN1C(=C(N=C1Br)C(=O)O)C(=O)O

InChI

InChI=1S/C6H5BrN2O4/c1-9-3(5(12)13)2(4(10)11)8-6(9)7/h1H3,(H,10,11)(H,12,13)