
 OpenBabel04291915333D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.9962    2.0347   -0.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3247    0.9742   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9818    0.9747   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    2.0356   -0.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9674    2.0360   -0.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3391    2.0342   -0.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0611    3.1744   -1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4473    4.1442   -1.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    3.1740   -1.4319 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0086    3.1383   -1.4109 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1929    3.1379   -1.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578    4.1665   -1.8728 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0938    0.9747   -0.4377 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.4802    2.8499   -1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8407    0.1590   -0.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0646    2.0364   -0.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9498    2.3962   -1.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9498    3.9514   -1.7821 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 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <SKU>
A10164

>  <Product Name>
BSI-201 (Iniparib)

>  <CAS>
160003-66-7

>  <M.Wt>
292.03067

>  <Formula>
C7H5IN2O3

>  <Synonyms>
BSI201, NSC-746045, IND-71677, Iniparib

>  <URL>
https://www.adooq.com/bsi-201-iniparib.html

$$$$
