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

Systemtic Name: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-pyrazole-3-carboxamide Formula: C16H11F3N6O4 MolecularWeight: 408.29155

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N6O4/c1-29-9-4-2-8(3-5-9)10-6-12(16(17,18)19)22-15(21-10)24-7-11(25(27)28)13(23-24)14(20)26/h2-7H,1H3,(H2,20,26)