-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.3458    1.3750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    1.3750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  2  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
>  <ID> (BBL000675)
BBL000675

>  <Rotatable_Bonds> (BBL000675)
0

>  <logP> (BBL000675)
1

>  <PSA> (BBL000675)
74.92

>  <H_Donors> (BBL000675)
1

>  <H_Acceptors> (BBL000675)
3

>  <Number_of_rings> (BBL000675)
1

>  <NAME> (BBL000675)
N-(2-nitrophenyl)acetamide

>  <Mol_Weight> (BBL000675)
180.16

>  <Mol_Formula> (BBL000675)
C8H8N2O3

>  <Smiles> (BBL000675)
CC(=O)Nc1ccccc1[N+](=O)[O-]

>  <CAS_Number> (BBL000675)
552-32-9

>  <Alternative_identifier> (BBL000675)
MFCD00016991

$$$$