tert-butyl N-[(3S)-8-bromo-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
  -molcms-06192619232D

 21 22  0  0  1  0  0  0  0  0999 V2000
   -3.6906   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6906   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1906   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6906   -3.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1906   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6906   -3.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1906   -2.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1906   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1906   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7568    0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802    1.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818    0.6235    0.0000 N   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
    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
    2.5981   -1.5000    0.0000 Br  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
   -0.7818   -1.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7568   -1.4010    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  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  9  1  0  0  0  0
M  END
>  <ProductName>
tert-butyl N-[(3S)-8-bromo-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate

>  <CASNumber>
1932559-70-0

>  <MolecularFormula>
C14H17BrN2O4

>  <MDLNo>
MFCD28717319

>  <MolWt>
357.20

>  <BoilingPoint>
510.2��50.0 ��C(Predicted)

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C(OC(C)(C)C)(=O)N[C@@H]1C(=O)NC2=CC=C(Br)C=C2OC1

$$$$