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

Systemtic Name: methyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylate Openeye Name: methyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylate CAS Name: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-nitro-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitropyrazole-3-carboxylate Traditional Name: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C17H12F3N5O5 MolecularWeight: 423.30289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N5O5/c1-29-10-5-3-9(4-6-10)11-7-13(17(18,19)20)22-16(21-11)24-8-12(25(27)28)14(23-24)15(26)30-2/h3-8H,1-2H3