diethyl 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-propanedioate

Systemtic Name: diethyl 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-propanedioate Openeye Name: diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-methyl-propanedioate CAS Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylpropanedioate Traditional Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-methyl-malonic acid diethyl ester Formula: C14H15ClF3NO4 MolecularWeight: 353.72141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)OCC

InChI

InChI=1S/C14H15ClF3NO4/c1-4-22-11(20)13(3,12(21)23-5-2)10-9(15)6-8(7-19-10)14(16,17)18/h6-7H,4-5H2,1-3H3