Ketcher 12021915052D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
    9.9263   -8.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7742   -8.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0784   -8.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7742   -7.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0784   -7.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6719   -6.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9263   -6.6337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9263   -9.6261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6719   -5.6362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5198   -7.1324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6719   -8.6287    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1807   -8.6287    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1807   -6.6337    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3757   -6.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  8  1  0     0  0
  2  4  1  0     0  0
  2 11  1  0     0  0
  3  5  2  0     0  0
  3 12  1  0     0  0
  4  6  1  0     0  0
  4  7  2  0     0  0
  5  7  1  0     0  0
  5 13  1  0     0  0
  6  9  2  0     0  0
  6 10  1  0     0  0
 10 14  1  0     0  0
M  END
> <ID>
CHEBI:145557

> <NAME>
picloram-methyl

> <DEFINITION>
A methyl ester resulting from the formal condensation of the carboxy group of picloram with methanol.

> <STAR>
3

> <SYNONYM>
picloram methyl ester; methyl 4-amino-3,5,6-trichloropicolinate; methyl 4-amino-3,5,6-trichloro-2-pyridinecarboxylate; 4-amino-3,5,6-trichloropicolinic acid methyl ester; 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid methyl ester

> <IUPAC_NAME>
methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate

> <FORMULA>
C7H5Cl3N2O2

> <MASS>
255.480

> <MONOISOTOPIC_MASS>
253.94166

> <CHARGE>
0

> <SMILES>
C1(=C(C(C(=O)OC)=NC(=C1Cl)Cl)Cl)N

> <INCHI>
InChI=1S/C7H5Cl3N2O2/c1-14-7(13)5-2(8)4(11)3(9)6(10)12-5/h1H3,(H2,11,12)

> <INCHIKEY>
RJQUHEYNLDNJLN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
14143-55-6

> <CHEMIDPLUS>
14143-55-6

> <NIST_CHEMISTRY_WEBBOOK>
14143-55-6

> <PESTICIDES_ACCESSION>
/derivatives/picloram-methyl

$$$$