4-Cyanoethyl-4-nitropimelonitrile
  -molcms-06132615012D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5981    0.0000 N   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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
>  <ProductName>
4-Cyanoethyl-4-nitropimelonitrile

>  <CASNumber>
1466-48-4

>  <MolecularFormula>
C10H12N4O2

>  <MDLNo>
MFCD00013830

>  <MolWt>
220.23

>  <BoilingPoint>
514.6��Cat760mmHg

>  <MeltingPoint>
111-113?��C (lit.)

>  <MolFile>


>  <Smiles>
C(CC(CCC#N)(CCC#N)[N+](=O)[O-])C#N

$$$$