dimethyl 2-[bis(fluoranyl)-iodanyl-methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-[bis(fluoranyl)-iodanyl-methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-[difluoro(iodo)methyl]-4-isobutyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate CAS Name: 2-[difluoro(iodo)methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[difluoro(iodo)methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate Traditional Name: 2-[difluoro(iodo)methyl]-4-isobutyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C15H15F5INO4 MolecularWeight: 495.180386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=C1C(=O)OC)C(F)(F)I)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)CC1=C(C(=NC(=C1C(=O)OC)C(F)(F)I)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C15H15F5INO4/c1-6(2)5-7-8(12(23)25-3)10(14(16,17)18)22-11(15(19,20)21)9(7)13(24)26-4/h6H,5H2,1-4H3