Mrv0541 07221412302D          

 15 15  0  0  0  0            999 V2000
    0.8669  -10.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5801  -11.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5829   -9.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697  -10.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2960  -10.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0043  -11.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7184  -10.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155  -10.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4287  -11.4017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1448  -10.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2960  -10.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092   -9.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2989   -8.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120   -8.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281   -8.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  5 11  1  0  0  0  0
 11  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:34938

> <NAME>
propoxur

> <DEFINITION>
A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group.

> <STAR>
3

> <SYNONYM>
propoxur; Propoxur; Baygon; Aprocarb; 2-Isopropoxyphenyl N-methylcarbamate; 2-Isopropoxyphenyl methylcarbamate; 2-(1-methylethoxy)phenyl methylcarbamate

> <IUPAC_NAME>
2-(propan-2-yloxy)phenyl methylcarbamate

> <FORMULA>
C11H15NO3

> <MASS>
209.24170

> <MONOISOTOPIC_MASS>
209.10519

> <CHARGE>
0

> <SMILES>
CNC(=O)Oc1ccccc1OC(C)C

> <INCHI>
InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)

> <INCHIKEY>
ISRUGXGCCGIOQO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
114-26-1

> <REAXYS_REGISTRY_NUMBER>
1879891

> <CHEMIDPLUS>
114-26-1

> <KEGG_COMPOUND_ACCESSION>
C14334

> <KEGG_DRUG_ACCESSION>
D08442

> <NIST_CHEMISTRY_WEBBOOK>
114-26-1

> <PESTICIDES_ACCESSION>
propoxur

> <WIKIPEDIA_ACCESSION>
Propoxur

> <PUBMED_CITATION>
19019354; 23201499; 24733834; 25016118

$$$$