1-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-imidazole-4,5-dicarboxylic acid

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-imidazole-4,5-dicarboxylic acid Openeye Name: 1-[(2,6-difluorophenyl)methyl]-2-methyl-imidazole-4,5-dicarboxylic acid CAS Name: 1-[(2,6-difluorophenyl)methyl]-2-methylimidazole-4,5-dicarboxylic acid IUPAC Name: 1-[(2,6-difluorophenyl)methyl]-2-methylimidazole-4,5-dicarboxylic acid Traditional Name: 1-(2,6-difluorobenzyl)-2-methyl-imidazole-4,5-dicarboxylic acid Formula: C13H10F2N2O4 MolecularWeight: 296.226306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=C(C=CC=C2F)F)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=C(N1CC2=C(C=CC=C2F)F)C(=O)O)C(=O)O

InChI

InChI=1S/C13H10F2N2O4/c1-6-16-10(12(18)19)11(13(20)21)17(6)5-7-8(14)3-2-4-9(7)15/h2-4H,5H2,1H3,(H,18,19)(H,20,21)