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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)methyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-[(3-chloro-4-methyl-phenyl)methyl]imidazole-4,5-dicarboxylic acid CAS Name: 1-[(3-chloro-4-methylphenyl)methyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[(3-chloro-4-methylphenyl)methyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-(3-chloro-4-methyl-benzyl)imidazole-4,5-dicarboxylic acid Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4/c1-7-2-3-8(4-9(7)14)5-16-6-15-10(12(17)18)11(16)13(19)20/h2-4,6H,5H2,1H3,(H,17,18)(H,19,20)