Mrv0541 10011416202D          
 
 23 24  0  0  0  0            999 V2000
   16.0090  -12.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2951  -12.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5772  -12.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5730  -11.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5744  -10.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5744  -10.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8610  -11.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1433  -10.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1433  -10.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8610   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4368  -11.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7146  -10.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0048  -11.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2889  -10.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0029   -9.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7136  -10.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4410   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8689  -12.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0090   -8.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5769   -9.6015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8630  -10.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1491   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  1  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6  7  1  0  0  0  0
 17 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
 16 20  2  0  0  0  0
  9 10  2  0  0  0  0
 15 21  2  0  0  0  0
 10  5  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <ID>
CHEBI:2962

> <NAME>
kresoxim-methyl

> <DEFINITION>
A carboxylic ester that is the methyl ester of (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fungal diseases on a wide range of crops.

> <STAR>
3

> <SYNONYM>
methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate; Methyl (E)-alpha-(methoxyimino)-2-((2-methylphenoxy)methyl)benzeneacetate; methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate; BAS 490 F

> <IUPAC_NAME>
methyl (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetate

> <FORMULA>
C18H19NO4

> <MASS>
313.34780

> <MONOISOTOPIC_MASS>
313.13141

> <CHARGE>
0

> <SMILES>
CO\N=C(\C(=O)OC)c1ccccc1COc1ccccc1C

> <INCHI>
InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+

> <INCHIKEY>
ZOTBXTZVPHCKPN-HTXNQAPBSA-N

> <CAS_REGISTRY_NUMBER>
143390-89-0

> <REAXYS_REGISTRY_NUMBER>
8330581

> <CHEMIDPLUS>
143390-89-0

> <KEGG_COMPOUND_ACCESSION>
C11017

> <NIST_CHEMISTRY_WEBBOOK>
143390-89-0

> <PESTICIDES_ACCESSION>
kresoxim-methyl

> <PUBMED_CITATION>
23197469; 23277369; 23452212; 24061350; 24210350; 24611510; 24936710; 24997920

$$$$