Marvin  08130717412D          

 15 15  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
    0.0000    0.8250    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
   -0.7145    0.4125    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
   -1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  2  0  0  0  0
  4  1  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  9  5  1  0  0  0  0
  6  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7 11  1  0  0  0  0
  8  7  1  0  0  0  0
 10  7  1  0  0  0  0
 13 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
M  END
> <ID>
CHEBI:39164

> <NAME>
(E)-acetamiprid

> <DEFINITION>
The (E)-stereoisomer of acetamiprid.

> <STAR>
3

> <SYNONYM>
Acetamiprid; (E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine; (E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide

> <IUPAC_NAME>
(1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide

> <FORMULA>
C10H11ClN4

> <MASS>
222.67400

> <MONOISOTOPIC_MASS>
222.06722

> <CHARGE>
0

> <SMILES>
CN(Cc1ccc(Cl)nc1)C(\C)=N\C#N

> <INCHI>
InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+

> <INCHIKEY>
WCXDHFDTOYPNIE-RIYZIHGNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8315700

> <CAS_REGISTRY_NUMBER>
135410-20-7

> <REAXYS_REGISTRY_NUMBER>
8315700

> <CHEMIDPLUS>
135410-20-7

> <KEGG_COMPOUND_ACCESSION>
C18507

> <PESTICIDES_ACCESSION>
acetamiprid

> <WIKIPEDIA_ACCESSION>
Acetamiprid

$$$$