1-[4-[bis(fluoranyl)methyl]-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-3-carboxylate CAS Name: 1-[4-(difluoromethyl)-6-(3-methoxyphenyl)-2-pyrimidinyl]-3-pyrazolecarboxylate IUPAC Name: 1-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-3-carboxylate Formula: C16H11F2N4O3- MolecularWeight: 345.280346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)F

InChI

InChI=1S/C16H12F2N4O3/c1-25-10-4-2-3-9(7-10)12-8-13(14(17)18)20-16(19-12)22-6-5-11(21-22)15(23)24/h2-8,14H,1H3,(H,23,24)/p-1