diethyl 2-[5-ethoxycarbonyl-2,6-bis(trifluoromethyl)pyrimidin-4-yl]propanedioate

Systemtic Name: diethyl 2-[5-ethoxycarbonyl-2,6-bis(trifluoromethyl)pyrimidin-4-yl]propanedioate Openeye Name: diethyl 2-[5-ethoxycarbonyl-2,6-bis(trifluoromethyl)pyrimidin-4-yl]propanedioate CAS Name: 2-[5-ethoxycarbonyl-2,6-bis(trifluoromethyl)-4-pyrimidinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-ethoxycarbonyl-2,6-bis(trifluoromethyl)pyrimidin-4-yl]propanedioate Traditional Name: 2-[5-carbethoxy-2,6-bis(trifluoromethyl)pyrimidin-4-yl]malonic acid diethyl ester Formula: C16H16F6N2O6 MolecularWeight: 446.298459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(F)(F)F)C(F)(F)F)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(F)(F)F)C(F)(F)F)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C16H16F6N2O6/c1-4-28-11(25)7-9(8(12(26)29-5-2)13(27)30-6-3)23-14(16(20,21)22)24-10(7)15(17,18)19/h8H,4-6H2,1-3H3