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

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-(furan-2-yl)pyrimidin-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[4-(difluoromethyl)-6-(2-furyl)pyrimidin-2-yl]pyrazole-3-carboxylate CAS Name: 1-[4-(difluoromethyl)-6-(2-furanyl)-2-pyrimidinyl]-3-pyrazolecarboxylate IUPAC Name: 1-[4-(difluoromethyl)-6-(furan-2-yl)pyrimidin-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-(difluoromethyl)-6-(2-furyl)pyrimidin-2-yl]pyrazole-3-carboxylate Formula: C13H7F2N4O3- MolecularWeight: 305.216486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F2N4O3/c14-11(15)9-6-8(10-2-1-5-22-10)16-13(17-9)19-4-3-7(18-19)12(20)21/h1-6,11H,(H,20,21)/p-1