IUPAC Name
3-nitro-1-(4-octylphenyl)propan-1-one
Molecular Weight
291.38500
Molecular Formula
C17H25NO3
Canonical SMILES
CCCCCCCCC1=CC=C(C=C1)C(=O)CC[N+](=O)[O-]
InChI
InChI=1S/C17H25NO3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(20)21/h9-12H,2-8,13-14H2,1H3
InChIKey
NJNSEIUIBRRLDJ-UHFFFAOYSA-N