568364
  CDK     0118221227

 20 19  0  0  0  0  0  0  0  0999 V2000
    7.3659   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 15  1  0  0  0  0 
  3 16  1  0  0  0  0 
  3 19  1  0  0  0  0 
  4 10  2  0  0  0  0 
  5 11  2  0  0  0  0 
  6 12  2  0  0  0  0 
  7 16  2  0  0  0  0 
  8  9  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:189248

> <NAME>
Diethyl [(3-ethoxy-3-oxopropanoyl)amino]malonate

> <STAR>
2

> <IUPAC_NAME>
diethyl 2-[(3-ethoxy-3-oxopropanoyl)amino]propanedioate

> <FORMULA>
C12H19NO7

> <MASS>
289.284

> <MONOISOTOPIC_MASS>
289.11615

> <CHARGE>
0

> <SMILES>
O(C(=O)C(NC(=O)CC(OCC)=O)C(OCC)=O)CC

> <INCHI>
InChI=1S/C12H19NO7/c1-4-18-9(15)7-8(14)13-10(11(16)19-5-2)12(17)20-6-3/h10H,4-7H2,1-3H3,(H,13,14)

> <INCHIKEY>
PEEDQHGRWFGQDK-UHFFFAOYSA-N

$$$$