Marvin  02141116172D          

 14 14  0  0  0  0            999 V2000
   -0.2169    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2169   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    0.4126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    0.4126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    1.6501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9968    2.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    2.4751    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4257    2.8876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  5  3  1  0  0  0  0
  5 10  1  0  0  0  0
 11  6  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
> <ID>
CHEBI:39183

> <NAME>
dinotefuran

> <STAR>
3

> <SYNONYM>
Dinotefuran; 1-methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine

> <IUPAC_NAME>
1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine

> <FORMULA>
C7H14N4O3

> <MASS>
202.21110

> <MONOISOTOPIC_MASS>
202.10659

> <CHARGE>
0

> <SMILES>
CNC(NCC1CCOC1)=N[N+]([O-])=O

> <INCHI>
InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)

> <INCHIKEY>
YKBZOVFACRVRJN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
10659734

> <CAS_REGISTRY_NUMBER>
165252-70-0

> <CHEMIDPLUS>
165252-70-0

> <KEGG_COMPOUND_ACCESSION>
C18509

> <PESTICIDES_ACCESSION>
dinotefuran

$$$$