
 OpenBabel04291915433D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.9672    0.0345    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    0.0345    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9816   -0.3895   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245   -0.3895   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    0.0345    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    0.4586    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2977    0.4755    1.2141 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1133    0.4755    1.2141 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9485    0.8865    2.2636 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9739   -0.7997   -2.0423 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2726   -0.7997   -2.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101   -0.8136   -2.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9946   -1.2557   -3.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3808   -1.6433   -4.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3436   -1.2557   -3.2068 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4512   -0.2914   -0.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8261    0.3604    0.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    0.6848    1.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4816   -1.1106   -2.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189   -1.0033   -2.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8121   -1.5515   -3.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 21  1  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
>  <SKU>
A14304

>  <Product Name>
CRT0044876

>  <CAS>
6960-45-8

>  <M.Wt>
206.15494

>  <Formula>
C9H6N2O4

>  <Synonyms>
NSC 69877,7-NO2-ICA

>  <URL>
https://www.adooq.com/crt0044876.html

$$$$
