1-[(2-methylphenyl)methyl]imidazole-4,5-dicarboxylic acid

Systemtic Name: 1-[(2-methylphenyl)methyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-(o-tolylmethyl)imidazole-4,5-dicarboxylic acid CAS Name: 1-[(2-methylphenyl)methyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[(2-methylphenyl)methyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-(2-methylbenzyl)imidazole-4,5-dicarboxylic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=C2C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=C2C(=O)O)C(=O)O

InChI

InChI=1S/C13H12N2O4/c1-8-4-2-3-5-9(8)6-15-7-14-10(12(16)17)11(15)13(18)19/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19)