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

Systemtic Name: 1-[1-(3,4-dichlorophenyl)butyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-[1-(3,4-dichlorophenyl)butyl]imidazole-4,5-dicarboxylic acid CAS Name: 1-[1-(3,4-dichlorophenyl)butyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[1-(3,4-dichlorophenyl)butyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-[1-(3,4-dichlorophenyl)butyl]imidazole-4,5-dicarboxylic acid Formula: C15H14Cl2N2O4 MolecularWeight: 357.18866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14Cl2N2O4/c1-2-3-11(8-4-5-9(16)10(17)6-8)19-7-18-12(14(20)21)13(19)15(22)23/h4-7,11H,2-3H2,1H3,(H,20,21)(H,22,23)