Marvin  08250723482D          

 32 33  0  0  0  0            999 V2000
    0.0000   -0.8250    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
    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
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6499    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4301    2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8590    2.0623    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8590    2.8872    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2879    2.8872    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0023    1.6497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4300    0.4123    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5735    1.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2879    2.0622    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0024    2.4747    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    0.9353    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1445    1.6498    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5570    0.9353    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 15  3  1  0  0  0  0
  4  3  1  0  0  0  0
  1  4  2  0  0  0  0
 14  4  1  0  0  0  0
  3  5  2  0  0  0  0
 13  5  1  0  0  0  0
  6  2  2  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
  7 10  2  0  0  0  0
  8 18  1  0  0  0  0
 12  8  2  0  0  0  0
 21  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 26 10  1  0  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
 19 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20 17  2  0  0  0  0
 31 21  1  0  0  0  0
 22 31  1  0  0  0  0
 23 22  1  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 25 28  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <ID>
CHEBI:39385

> <NAME>
novaluron

> <STAR>
3

> <SYNONYM>
Rimon; Novaluron; N-[({3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}amino)carbonyl]-2,6-difluorobenzamide

> <IUPAC_NAME>
N-({3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}carbamoyl)-2,6-difluorobenzamide

> <FORMULA>
C17H9ClF8N2O4

> <MASS>
492.70437

> <MONOISOTOPIC_MASS>
492.01231

> <CHARGE>
0

> <SMILES>
FC(OC(F)(F)F)C(F)(F)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl

> <INCHI>
InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)

> <INCHIKEY>
NJPPVKZQTLUDBO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5465888

> <CAS_REGISTRY_NUMBER>
116714-46-6

> <REAXYS_REGISTRY_NUMBER>
5465888

> <CHEMIDPLUS>
116714-46-6

> <KEGG_COMPOUND_ACCESSION>
C18875

> <PESTICIDES_ACCESSION>
novaluron

> <WIKIPEDIA_ACCESSION>
Novaluron

$$$$