222680
  CDK     1209211503

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.8492   -0.4267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    1.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925   -0.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7069   -1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4214   -0.0143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974   -0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7069   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1358   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4214    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2  7  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  8  1  0  0  0  0 
  3 15  1  0  0  0  0 
  4 15  2  0  0  0  0 
  5 15  1  0  0  0  0 
  5 16  1  0  0  0  0 
  5 17  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
 10 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 14  2  0  0  0  0 
M  END
> <ID>
CHEBI:188096

> <NAME>
2,3-dihydro-1,4-benzodioxin-2-ylmethyl dimethylcarbamate

> <STAR>
2

> <IUPAC_NAME>
2,3-dihydro-1,4-benzodioxin-3-ylmethyl N,N-dimethylcarbamate

> <FORMULA>
C12H15NO4

> <MASS>
237.255

> <MONOISOTOPIC_MASS>
237.10011

> <CHARGE>
0

> <SMILES>
O1C(COC=2C1=CC=CC2)COC(=O)N(C)C

> <INCHI>
InChI=1S/C12H15NO4/c1-13(2)12(14)16-8-9-7-15-10-5-3-4-6-11(10)17-9/h3-6,9H,7-8H2,1-2H3

> <INCHIKEY>
WSCKMRCIWCXCBS-UHFFFAOYSA-N

$$$$