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

Systemtic Name: methyl 4-nitro-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Openeye Name: methyl 4-nitro-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate CAS Name: 4-nitro-1-[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-nitro-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Traditional Name: 4-nitro-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid methyl ester Formula: C14H8F3N5O4S MolecularWeight: 399.30463

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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=CS3

Isomeric SMILES

COC(=O)C1=NN(C=C1[N+](=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C14H8F3N5O4S/c1-26-12(23)11-8(22(24)25)6-21(20-11)13-18-7(9-3-2-4-27-9)5-10(19-13)14(15,16)17/h2-6H,1H3