1-[[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate Openeye Name: 1-[[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate CAS Name: 1-[[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]oxymethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate Traditional Name: 1-[[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylate Formula: C17H12F3N4O3- MolecularWeight: 377.29739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)OCN3C=CC(=N3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)OCN3C=CC(=N3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H13F3N4O3/c1-10-2-4-11(5-3-10)13-8-14(17(18,19)20)22-16(21-13)27-9-24-7-6-12(23-24)15(25)26/h2-8H,9H2,1H3,(H,25,26)/p-1