C10H15NO4
APtclcactv03241713472D 0   0.00000     0.00000
 
 30 30  0  0  0  0  0  0  0  0999 V2000
    6.3581    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581    0.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9781    3.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581    4.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7381    3.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5702    1.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    2.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2801    2.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8815    1.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4140    1.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0155    0.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231   -0.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -1.6991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -2.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -2.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -4.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665   -3.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 14  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
> <UNIQUE_SMILES>
CCCC(=O)CC(=O)NC1CCOC1=O

> <USER_SUPPLIED_SMILES>
CCCC(=O)CC(=O)NC1(CCOC(=O)1)

$$$$
