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

Systemtic Name: diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]propanedioate Openeye Name: diethyl 2-[5-(trifluoromethyl)-2-pyridyl]propanedioate CAS Name: 2-[5-(trifluoromethyl)-2-pyridinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]propanedioate Traditional Name: 2-[5-(trifluoromethyl)-2-pyridyl]malonic acid diethyl ester Formula: C13H14F3NO4 MolecularWeight: 305.24977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC=C(C=C1)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=NC=C(C=C1)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C13H14F3NO4/c1-3-20-11(18)10(12(19)21-4-2)9-6-5-8(7-17-9)13(14,15)16/h5-7,10H,3-4H2,1-2H3