N-(3-Methyl-butyl)-5-nitro-isophthalamic acid methyl ester结构式

N-(3-Methyl-butyl)-5-nitro-isophthalamic acid methyl ester
英文名称:N-(3-Methyl-butyl)-5-nitro-isophthalamic acid methyl ester
CAS No.:349146-04-9
分子式:C14H18N2O5 分子量:294.303
N-(3-Methyl-butyl)-5-nitro-isophthalamic acid methyl ester 数据
Mol:
0  0  0  0  0  0
   13.5966    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    0.7850    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0790    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0790    3.1400    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  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
  8 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
 13 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21  5  2  0  0  0  0
M  CHG  1  18   1
M  CHG  1  20  -1
M  END                                
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N-(3-Methyl-butyl)-5-nitro-isophthalamic acid methyl ester Smile 编码:
COC(C1=CC([N+]([O-])=O)=CC(C(NCCC(C)C)=O)=C1)=O