2-[bis(fluoranyl)methyl]-5-methoxycarbonyl-4-(2-methylprop-1-enyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[bis(fluoranyl)methyl]-5-methoxycarbonyl-4-(2-methylprop-1-enyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 2-(difluoromethyl)-5-methoxycarbonyl-4-(2-methylprop-1-enyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 2-(difluoromethyl)-5-methoxycarbonyl-4-(2-methylprop-1-enyl)-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(difluoromethyl)-5-methoxycarbonyl-4-(2-methylprop-1-enyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-2-(difluoromethyl)-4-(2-methylprop-1-enyl)-6-(trifluoromethyl)nicotinic acid Formula: C14H12F5NO4 MolecularWeight: 353.241396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F5NO4/c1-5(2)4-6-7(12(21)22)9(11(15)16)20-10(14(17,18)19)8(6)13(23)24-3/h4,11H,1-3H3,(H,21,22)