结构式

 
英文名称: 
CAS No.:40163-27-7
分子式:C13H15NO4 分子量:249.2625
  数据
Mol:
 0  0  0  0
    2.4167    5.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    3.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230    3.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230    5.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7778    2.7181    0.0000 C   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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  9 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  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
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 14 18  2  0  0  0  0
 18  5  1  0  0  0  0
M  END                                
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  Smile 编码:
CCC1(C(=O)OCC2C(N3CCCC3=CC1=2)=O)O