dimethyl 2-[bis(fluoranyl)methyl]-4-(2-chloranyl-2-oxidanylidene-ethyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-[bis(fluoranyl)methyl]-4-(2-chloranyl-2-oxidanylidene-ethyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2-chloro-2-oxo-ethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate CAS Name: 4-(2-chloro-2-oxoethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2-chloro-2-oxoethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate Traditional Name: 4-(2-chloro-2-keto-ethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C13H9ClF5NO5 MolecularWeight: 389.659276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(N=C1C(F)F)C(F)(F)F)C(=O)OC)CC(=O)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(N=C1C(F)F)C(F)(F)F)C(=O)OC)CC(=O)Cl

InChI

InChI=1S/C13H9ClF5NO5/c1-24-11(22)6-4(3-5(14)21)7(12(23)25-2)9(13(17,18)19)20-8(6)10(15)16/h10H,3H2,1-2H3