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

Systemtic Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate CAS Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxylate IUPAC Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Formula: C16H10F3N4O3- MolecularWeight: 363.27081

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H11F3N4O3/c1-26-12-5-3-2-4-9(12)11-8-13(16(17,18)19)21-15(20-11)23-7-6-10(22-23)14(24)25/h2-8H,1H3,(H,24,25)/p-1