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

Systemtic Name: 1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid CAS Name: 1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarboxylic acid Formula: C13H10Cl2N2O4 MolecularWeight: 329.1355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2N2O4/c1-6(7-2-3-8(14)9(15)4-7)17-5-16-10(12(18)19)11(17)13(20)21/h2-6H,1H3,(H,18,19)(H,20,21)