Mrv0541 04171412412D          

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 30 29  3  0  0  0  0
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M  END
> <ID>
CHEBI:40909

> <NAME>
azoxystrobin

> <DEFINITION>
An aryloxypyrimidine having a 4,6-diphenoxypyrimidine  skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture.

> <STAR>
3

> <SYNONYM>
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate; (alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester

> <IUPAC_NAME>
methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate

> <FORMULA>
C22H17N3O5

> <MASS>
403.38750

> <MONOISOTOPIC_MASS>
403.11682

> <CHARGE>
0

> <SMILES>
CO\C=C(\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

> <INCHI>
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+

> <INCHIKEY>
WFDXOXNFNRHQEC-GHRIWEEISA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8350244

> <CAS_REGISTRY_NUMBER>
131860-33-8

> <REAXYS_REGISTRY_NUMBER>
8350244

> <CHEMIDPLUS>
131860-33-8

> <KEGG_COMPOUND_ACCESSION>
C18558

> <PDBECHEM_ACCESSION>
AZO

> <PESTICIDES_ACCESSION>
azoxystrobin

> <WIKIPEDIA_ACCESSION>
Azoxystrobin

> <PUBMED_CITATION>
20818521; 21153804; 21671616; 21777591; 21884765; 22092932; 22224459; 22278367; 24125711; 24405376; 24700092; 24726979; 25011117; 25090100; 25196149

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