N-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)pyrazole-1-carboxamide

Systemtic Name: N-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)pyrazole-1-carboxamide Openeye Name: N-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)pyrazole-1-carboxamide CAS Name: N-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)-1-pyrazolecarboxamide IUPAC Name: N-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)pyrazole-1-carboxamide Traditional Name: N-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)pyrazole-1-carboxamide Formula: C13H8F6N4O4 MolecularWeight: 398.217439

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1C(=CC(=N1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CNC(=O)N1C(=CC(=N1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H8F6N4O4/c1-20-11(24)22-9(13(17,18)19)5-10(21-22)27-8-3-2-6(12(14,15)16)4-7(8)23(25)26/h2-5H,1H3,(H,20,24)