Marvin  06110716092D          

 15 16  0  0  0  0            999 V2000
   -2.6875    2.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4020    1.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4020    1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9730    1.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9730    1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5441    1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5441    1.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    2.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    3.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5441    4.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5441    3.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1704    3.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848    3.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
 10  5  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  2  0  0  0  0
 10  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  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
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:3390

> <NAME>
carbaryl

> <DEFINITION>
A carbamate ester obtained by the formal condensation of  1-naphthol with methylcarbamic acid.

> <STAR>
3

> <SYNONYM>
Sevin; N-Methyl-alpha-naphthylurethan; N-Methyl-1-naphthyl carbamate; carbaryl; Carbaryl; Carbaril; Carbaril; alpha-Naphthyl N-methylcarbamate; 1-Naphthyl N-methylcarbamate; 1-naphthol N-methylcarbamate; 1-Naphthalenyl methylcarbamate; 1-Naphthalenol, methylcarbamate

> <IUPAC_NAME>
naphthalen-1-yl methylcarbamate

> <FORMULA>
C12H11NO2

> <MASS>
201.22128

> <MONOISOTOPIC_MASS>
201.07898

> <CHARGE>
0

> <SMILES>
CNC(=O)Oc1cccc2ccccc12

> <INCHI>
InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)

> <INCHIKEY>
CVXBEEMKQHEXEN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
63-25-2

> <REAXYS_REGISTRY_NUMBER>
1875862

> <CHEMIDPLUS>
63-25-2

> <KEGG_COMPOUND_ACCESSION>
C07491

> <KEGG_DRUG_ACCESSION>
D07613

> <LINCS_ACCESSION>
LSM-37123

> <NIST_CHEMISTRY_WEBBOOK>
63-25-2

> <WIKIPEDIA_ACCESSION>
Carbaryl

> <PUBMED_CITATION>
15092421; 15092693; 19025094

$$$$