SSR128129E (free acid)
  -molcms-05182610452D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.2738    3.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0169    2.3794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781   -0.2079    0.0000 N   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
   -0.7431   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6942   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9021    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532    0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5963    0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5474    0.5669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3884   -0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1315   -1.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0826   -1.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9236   -2.3675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4373   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5352   -1.6473    0.0000 O   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
   -0.9706    1.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    0.6581    0.0000 C   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  2  0  0  0  0
  4  5  1  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
  8  9  2  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 13 17  2  0  0  0  0
 17  8  1  0  0  0  0
  7 18  2  0  0  0  0
  6 19  2  0  0  0  0
 19  3  1  0  0  0  0
 19 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  4  1  0  0  0  0
M  END
>  <ProductName>
SSR128129E (free acid)

>  <CASNumber>
848463-13-8

>  <MolecularFormula>
C18H16N2O4

>  <MDLNo>


>  <MolWt>
324.33

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
COC1=C2N(C(C(C3=CC=C(N)C(C(O)=O)=C3)=O)=C1C)C=CC=C2

$$$$