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

Systemtic Name: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4,5-dicarboxylic acid CAS Name: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-[4-(trifluoromethyl)benzyl]imidazole-4,5-dicarboxylic acid Formula: C13H9F3N2O4 MolecularWeight: 314.21677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC(=C2C(=O)O)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC(=C2C(=O)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H9F3N2O4/c14-13(15,16)8-3-1-7(2-4-8)5-18-6-17-9(11(19)20)10(18)12(21)22/h1-4,6H,5H2,(H,19,20)(H,21,22)