methyl 2,4-dimethyl-3-nitrobenzoate
  -molcms-05212616412D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 15  2  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
>  <ProductName>
methyl 2,4-dimethyl-3-nitrobenzoate

>  <CASNumber>
24805-54-7

>  <MolecularFormula>
C10H11NO4

>  <MDLNo>
MFCD23703478

>  <MolWt>
209.20

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O(C)C(C1=CC=C(C)C(=C1C)[N+](=O)[O-])=O

$$$$