3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-4-methyl-benzoic acid methyl ester结构式

3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-4-methyl-benzoic acid methyl ester
英文名称:3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-4-methyl-benzoic acid methyl ester
CAS No.:428459-93-2
分子式:C16H17NO3 分子量:271.311
3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-4-methyl-benzoic acid methyl ester 数据
Mol:

    5.4059    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595    2.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980    1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7752    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238    3.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    4.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3772    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END                                
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3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-4-methyl-benzoic acid methyl ester Smile 编码:
COC(C1C=CC(C)=C(N2C(C)=CC(C=O)=C2C)C=1)=O