diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate CAS Name: 1-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]triazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate Traditional Name: 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylic acid diethyl ester Formula: C19H16F3N5O4 MolecularWeight: 435.35665

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C19H16F3N5O4/c1-3-30-16(28)14-15(17(29)31-4-2)27(26-25-14)18-23-12(11-8-6-5-7-9-11)10-13(24-18)19(20,21)22/h5-10H,3-4H2,1-2H3