3-Nitro-1-(1-phenylethyl)-1H-pyrazole
  -molcms-06252608012D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.9839    0.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5772   -0.2319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827   -0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827   -1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1045   -0.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135    0.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650   -1.0409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
  6 15  1  0  0  0  0
 15  3  2  0  0  0  0
  2 16  2  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <ProductName>
3-Nitro-1-(1-phenylethyl)-1H-pyrazole

>  <CASNumber>
1240569-39-4

>  <MolecularFormula>
C11H11N3O2

>  <MDLNo>


>  <MolWt>
217.22

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
[O-][N+](C1C=CN(C(C)C2C=CC=CC=2)N=1)=O

$$$$