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

Systemtic Name: 1-[1-(3-chlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-[1-(3-chlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid CAS Name: 1-[1-(3-chlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[1-(3-chlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-[1-(3-chlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid Formula: C13H11ClN2O4 MolecularWeight: 294.69044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)N2C=NC(=C2C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)Cl)N2C=NC(=C2C(=O)O)C(=O)O

InChI

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