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

Systemtic Name: 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxylic acid CAS Name: 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-(3-chlorobenzyl)imidazole-4,5-dicarboxylic acid Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O4/c13-8-3-1-2-7(4-8)5-15-6-14-9(11(16)17)10(15)12(18)19/h1-4,6H,5H2,(H,16,17)(H,18,19)