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

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-(4-bromophenyl)pyrimidin-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate CAS Name: 1-[4-(4-bromophenyl)-6-(difluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxylate IUPAC Name: 1-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Formula: C15H8BrF2N4O2- MolecularWeight: 394.150426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)F)Br

InChI

InChI=1S/C15H9BrF2N4O2/c16-9-3-1-8(2-4-9)11-7-12(13(17)18)20-15(19-11)22-6-5-10(21-22)14(23)24/h1-7,13H,(H,23,24)/p-1