Mol:PR100069

 
  ISISHOST03240423152D 1   1.00000     0.00000  5604 
 
 16 18  0     0  0            999 V2000 
    0.5483   -0.5345    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.2310   -0.2828    0.0000 C   0  0  0  0  0  0           0  0  0 
    1.0379    0.1276    0.0000 C   0  0  0  0  0  0           0  0  0 
    0.8793   -1.2897    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.2276    0.5414    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.9379   -0.6966    0.0000 C   0  0  0  0  0  0           0  0  0 
    0.5552    0.7897    0.0000 N   0  0  0  0  0  0           0  0  0 
    1.8552    0.0345    0.0000 C   0  0  0  0  0  0           0  0  0 
    1.6965   -1.3793    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.9379    0.9552    0.0000 C   0  0  0  0  0  0           0  0  0 
   -1.6552   -0.2828    0.0000 C   0  0  0  0  0  0           0  0  0 
    2.1862   -0.7172    0.0000 N   0  0  0  0  0  0           0  0  0 
    2.3448    0.7000    0.0000 C   0  0  0  0  0  0           0  0  0 
   -1.6552    0.5414    0.0000 C   0  0  0  0  0  0           0  0  0 
   -2.3690    0.9552    0.0000 O   0  0  0  0  0  0           0  0  0 
   -3.0862    0.5414    0.0000 C   0  0  0  0  0  0           0  0  0 
  1  2  1  0     0  0 
  1  3  2  0     0  0 
  1  4  1  0     0  0 
  2  5  1  0     0  0 
  2  6  2  0     0  0 
  3  7  1  0     0  0 
  3  8  1  0     0  0 
  4  9  1  0     0  0 
  5 10  2  0     0  0 
  6 11  1  0     0  0 
  8 12  2  0     0  0 
  8 13  1  0     0  0 
 10 14  1  0     0  0 
 14 15  1  0     0  0 
 15 16  1  0     0  0 
  5  7  1  0     0  0 
  9 12  1  0     0  0 
 11 14  2  0     0  0 
PR100069p.mol:cas nothing 
S  SKP  5 
ID	PR100069 
FORMULA	C13H14N2O 
EXACTMASS	214.11061308 
AVERAGEMASS	214.26314 
SMILES	COc(c3)cc(n1)c(c3)c(C2)c(C(C)=NC2)1 
M  END