methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylate

Systemtic Name: methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylate Openeye Name: methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylate CAS Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-nitro-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitropyrazole-3-carboxylate Traditional Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C16H9F4N5O4 MolecularWeight: 411.267373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1[N+](=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=NN(C=C1[N+](=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H9F4N5O4/c1-29-14(26)13-11(25(27)28)7-24(23-13)15-21-10(6-12(22-15)16(18,19)20)8-2-4-9(17)5-3-8/h2-7H,1H3