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

Systemtic Name: methyl 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylate Openeye Name: methyl 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylate CAS Name: 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-nitro-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitropyrazole-3-carboxylate Traditional Name: 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C18H14F3N5O6 MolecularWeight: 453.32887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N5O6/c1-30-12-5-4-9(6-13(12)31-2)10-7-14(18(19,20)21)23-17(22-10)25-8-11(26(28)29)15(24-25)16(27)32-3/h4-8H,1-3H3