Marvin  02141116202D          

 17 18  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2234   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5254    2.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    2.5474    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0964    2.9599    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 13  1  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  1  6  2  0  0  0  0
 12  8  1  0  0  0  0
  8 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 16 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
> <ID>
CHEBI:5870

> <NAME>
imidacloprid

> <DEFINITION>
An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1.

> <STAR>
3

> <SYNONYM>
Imidacloprid; IMD; 1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine; 1-((6-chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine

> <IUPAC_NAME>
1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine

> <FORMULA>
C9H10ClN5O2

> <MASS>
255.66100

> <MONOISOTOPIC_MASS>
255.05230

> <CHARGE>
0

> <SMILES>
[O-][N+](=O)N=C1NCCN1Cc1ccc(Cl)nc1

> <INCHI>
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

> <INCHIKEY>
YWTYJOPNNQFBPC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5444268

> <CAS_REGISTRY_NUMBER>
138261-41-3

> <REAXYS_REGISTRY_NUMBER>
5444268

> <CHEMIDPLUS>
138261-41-3

> <KEGG_COMPOUND_ACCESSION>
C11110

> <PESTICIDES_ACCESSION>
imidacloprid

> <WIKIPEDIA_ACCESSION>
Imidacloprid

> <PUBMED_CITATION>
11502148; 11673842; 11699773; 11872245; 12146171; 12720336; 14690387; 14747770; 15154510; 15212911; 15246549; 15922528; 16156564; 16160767; 16406588; 16453147; 16539142; 16690142; 16845714; 18069649; 18188485; 18190949; 18348816; 18924117; 18973940; 18977458; 19916392; 19962320; 22022787; 22083888; 22119037; 22200056; 22224401; 22228315; 22290795; 22370410; 22375594; 22375595; 22395200; 22398690; 22420257; 22447470; 22459587; 22461500; 24515672; 25155403; 25314907; 25342464; 25467410; 25492586; 25557105; 25597673; 25607931; 25612154; 25618634; 25666568; 25755197; 25799432; 25826181; 25837412; 25840341; 34634905

$$$$