C14H15NO3
APtclcactv09241716232D 0   0.00000     0.00000
 
 33 34  0  0  0  0  0  0  0  0999 V2000
    6.8660   -1.6940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660   -0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7321   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7321    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660    1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6260    1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5321    0.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5321   -0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6260   -0.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1340    1.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660    1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6188    1.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678    1.1389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678   -0.5269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6188   -1.3486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -1.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900    0.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -1.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -0.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -0.8479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -2.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -2.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 17  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  2  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
> <UNIQUE_SMILES>
CCC/C=C/C1(O)C(=O)NC2=C(C=CC=C2)C1=O

> <USER_SUPPLIED_SMILES>
O=C(C1=C(N2)C=CC=C1)C(O)(/C=C/CCC)C2=O

$$$$
