1-[(3,4-dimethylphenyl)methyl]imidazole-4,5-dicarboxylic acid

Systemtic Name: 1-[(3,4-dimethylphenyl)methyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-[(3,4-dimethylphenyl)methyl]imidazole-4,5-dicarboxylic acid CAS Name: 1-[(3,4-dimethylphenyl)methyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[(3,4-dimethylphenyl)methyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-(3,4-dimethylbenzyl)imidazole-4,5-dicarboxylic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C=NC(=C2C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C=NC(=C2C(=O)O)C(=O)O)C

InChI

InChI=1S/C14H14N2O4/c1-8-3-4-10(5-9(8)2)6-16-7-15-11(13(17)18)12(16)14(19)20/h3-5,7H,6H2,1-2H3,(H,17,18)(H,19,20)