Ketcher 08161717512D 1   1.00000     0.00000     0

 16 17  0     0  0            999 V2000
   12.8343  -41.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8345  -41.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1436  -42.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3344  -43.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5252  -42.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6019  -46.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357  -45.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357  -44.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6019  -44.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4682  -44.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4682  -45.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3344  -44.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3344  -46.4866    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.0950  -43.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7484  -41.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8351  -40.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11  6  1  0     0  0
 10 12  1  0     0  0
 12  4  1  0     0  0
  1  2  1  0     0  0
 11 13  1  0     0  0
  2  3  1  0     0  0
  3 14  2  0     0  0
  3  4  1  0     0  0
  2 15  1  0     0  0
  4  5  1  0     0  0
  2 16  1  0     0  0
M  END
> <ID>
CHEBI:3751

> <NAME>
clomazone

> <DEFINITION>
An isoxazolidinone that is 1,2-oxazolidin-3-one substituted by a 2-chlorobenzyl group at position 2 and two methyl groups at position 4.

> <STAR>
3

> <SYNONYM>
FMC57020; Dimethazone

> <IUPAC_NAME>
2-(2-chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one

> <FORMULA>
C12H14ClNO2

> <MASS>
239.698

> <MONOISOTOPIC_MASS>
239.07131

> <CHARGE>
0

> <SMILES>
C1ON(CC=2C=CC=CC2Cl)C(C1(C)C)=O

> <INCHI>
InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3

> <INCHIKEY>
KIEDNEWSYUYDSN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
81777-89-1

> <REAXYS_REGISTRY_NUMBER>
7480026

> <KEGG_COMPOUND_ACCESSION>
C11095

> <NIST_CHEMISTRY_WEBBOOK>
81777-89-1

> <PESTICIDES_ACCESSION>
clomazone

> <WIKIPEDIA_ACCESSION>
Clomazone

> <PUBMED_CITATION>
21191867; 23538322; 24515809; 24562457; 24792474; 25380132; 25779373; 26370279; 27332840; 28458150; 28719874; 32625947; 33640824; 34446194; 36688907; 36778854

$$$$