7-Bromo-4-oxo-5-pivalamido-3,4-dihydrophthalazine-1-carboxylic acid
  -molcms-06142619572D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.8660    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
    1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  2  0  0  0  0
  6 21  2  0  0  0  0
  2 22  1  0  0  0  0
M  END
>  <ProductName>
7-Bromo-4-oxo-5-pivalamido-3,4-dihydrophthalazine-1-carboxylic acid

>  <CASNumber>
2629317-74-2

>  <MolecularFormula>
C14 H14 Br N3 O4

>  <MDLNo>


>  <MolWt>
368.18

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C(C1=NNC(C2=C1C=C(Br)C=C2NC(C(C)(C)C)=O)=O)O

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