-ISIS-  08091621332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.4583   -1.1833    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4125    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1333   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333   -1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333    0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    2.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333    0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  2  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
  5  2  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID> (BBL000798)
BBL000798

>  <Rotatable_Bonds> (BBL000798)
4

>  <logP> (BBL000798)
2.853

>  <PSA> (BBL000798)
63.82

>  <H_Donors> (BBL000798)
1

>  <H_Acceptors> (BBL000798)
3

>  <Number_of_rings> (BBL000798)
2

>  <NAME> (BBL000798)
ethyl (4Z)-4-(hydroxyimino)-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

>  <Mol_Weight> (BBL000798)
250.30

>  <Mol_Formula> (BBL000798)
C13H18N2O3

>  <Smiles> (BBL000798)
CCOC(=O)c1c(C)c2c(n1C)CCC/C/2=N/O

>  <Alternative_identifier> (BBL000798)
MFCD09222978

$$$$