muzolimine
  CDK     0223171734
null
 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0102   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7247   -1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3798   -1.4678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200   -3.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8240   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0615   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1331   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8476   -1.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -4.0370    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1331   -2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8476   -3.2120    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  2  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 12 16  2  0  0  0  0 
 13 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:135124

> <NAME>
muzolimine

> <STAR>
2

> <SYNONYM>
edrul; Bay-G-2821; Bay G 2821

> <FORMULA>
C11H11Cl2N3O

> <MASS>
272.131

> <MONOISOTOPIC_MASS>
271.02792

> <CHARGE>
0

> <SMILES>
C(C)(N1C(=O)CC(=N1)N)C2=CC(Cl)=C(C=C2)Cl

> <INCHI>
InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)

> <INCHIKEY>
RLWRMIYXDPXIEX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
55294-15-0

$$$$