-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.4042   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042    2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417    2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
  3  5  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <ID> (BBL000722)
BBL000722

>  <Rotatable_Bonds> (BBL000722)
5

>  <logP> (BBL000722)
2.241

>  <PSA> (BBL000722)
78.1

>  <H_Donors> (BBL000722)
0

>  <H_Acceptors> (BBL000722)
5

>  <Number_of_rings> (BBL000722)
2

>  <NAME> (BBL000722)
ethyl (4Z)-4-[(acetyloxy)imino]-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate

>  <Mol_Weight> (BBL000722)
279.29

>  <Mol_Formula> (BBL000722)
C14H17NO5

>  <Smiles> (BBL000722)
CCOC(=O)c1oc2c(c1C)/C(=N\OC(=O)C)/CCC2

>  <Alternative_identifier> (BBL000722)
MFCD09222981

$$$$