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

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxamide Formula: C17H13F3N6O5 MolecularWeight: 438.31753

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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)N)[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)N)[N+](=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C17H13F3N6O5/c1-30-11-4-3-8(5-12(11)31-2)9-6-13(17(18,19)20)23-16(22-9)25-7-10(26(28)29)14(24-25)15(21)27/h3-7H,1-2H3,(H2,21,27)