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. 2021 Aug 27;19(8):e06821. doi: 10.2903/j.efsa.2021.6821
Code/Trivial namea IUPAC name/SMILES notation/InChiKeyb Structural formulac
Azoxystrobin methyl (2E)‐2‐(2‐{[6‐(2‐cyanophenoxy)pyrimidin‐4‐yl]oxy}phenyl)‐3‐methoxyacrylate
O=C(OC)\C(=C\OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
WFDXOXNFNRHQEC‐GHRIWEEISA‐N graphic file with name EFS2-19-e06821-g005.jpg
L1 methyl (2E)‐2‐(2‐{[6‐(2‐ cyanophenoxy)pyrimidin‐4‐yl]oxy}‐xhydroxyphenyl)‐3‐methoxyprop‐2‐enoate
Refers to a non‐determined mixture of isomers with hydroxyl group in one of the alternative positions. Name and codes of one of the compounds are given for illustrative purposes. 
methyl (2E)‐2‐(2‐{[6‐(2‐cyanophenoxy)pyrimidin‐4‐yl]oxy}‐4‐hydroxyphenyl)‐3‐methoxyprop‐2‐enoate
O=C(OC)\C(=C\OC)c1ccc(O)cc1Oc1cc(Oc2ccccc2C#N)ncn1
YGORCRAVOJDUML‐SFQUDFHCSA‐N graphic file with name EFS2-19-e06821-g006.jpg
L4 S‐(2‐cyano‐x‐hydroxyphenyl)cysteine
Refers to a non‐determined mixture of isomers with hydroxyl group in one of the alternative positions. Name and codes of one of the compounds are given for illustrative purposes. 
S‐(2‐cyano‐4‐hydroxyphenyl)cysteine
O=C(O)C(N)CSc1ccc(O)cc1C#N
HHJSURCWSNDRKW‐UHFFFAOYSA‐N graphic file with name EFS2-19-e06821-g005.jpg
L9 2‐{[6‐(2‐cyanophenoxy)pyrimidin‐4‐ yl]oxy}‐x‐hydroxybenzoic acid
Refers to a non‐determined mixture of isomers with hydroxyl group in one of the alternative positions. Name and codes of one of the compounds are given for illustrative purposes. 
2‐{[6‐(2‐cyanophenoxy)pyrimidin‐4‐yl]oxy}‐4‐hydroxybenzoic acid
O=C(O)c1ccc(O)cc1Oc1cc(Oc2ccccc2C#N)ncn1
KBPYPCVAGBHCJS‐UHFFFAOYSA‐N graphic file with name EFS2-19-e06821-g006.jpg
K1 4‐{[6‐(2‐cyanophenoxy)pyrimidin‐4‐ yl]oxy}‐3‐[(1E)‐1,3‐dimethoxy‐3‐oxoprop1‐en‐2‐yl]phenyl glucopyranuronic acid
Refers to a non‐determined mixture of isomers with glucopyranuronic acid moiety in one of the alternative positions. Name and codes of one of the compounds are given for illustrative purposes. 
3‐{[6‐(2‐cyanophenoxy)pyrimidin‐4‐yl]oxy}‐4‐[(1E)‐1,3‐dimethoxy‐3‐oxoprop‐1‐en‐2‐yl]phenyl L‐glucopyranosiduronic acid
N#Cc1ccccc1Oc1cc(ncn1)Oc1cc(O[C@H]2OC([C@H](O)C(O)C2O)C(=O)O)ccc1C(=C\OC)/C(=O)OC
BPMGKBSQEJFZIY‐SFQUDFHCSA‐N graphic file with name EFS2-19-e06821-g003.jpg

IUPAC: International Union of Pure and Applied Chemistry; SMILES: simplified molecular‐input line‐entry system; InChiKey: International Chemical Identifier Key.

a

The metabolite name in bold is the name used in the conclusion.

b

ACD/Name 2019.1.3 ACD/Labs 2019 Release (File version N05E41, Build 111418, 3 September 2019).

c

ACD/ChemSketch 2019.1.3 ACD/Labs 2019 Release (File version C05H41, Build 111302, 27 August 2019).