2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-ethanamide

Systemtic Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-ethanamide Openeye Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecyl-acetamide CAS Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]-N-octadecylacetamide IUPAC Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecylacetamide Traditional Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-stearyl-acetamide Formula: C25H43F3N4O3 MolecularWeight: 504.62913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CN1C(=C(C(=N1)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CN1C(=C(C(=N1)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C25H43F3N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-22(33)20-31-21(2)23(32(34)35)24(30-31)25(26,27)28/h3-20H2,1-2H3,(H,29,33)