| Code/Trivial name | IUPAC name/SMILES notation/InChiKey (a) | Structural formula (b) |
|---|---|---|
| Azoxystrobin |
methyl (2E)‐2‐(2‐{[6‐(2‐cyanophenoxy)pyrimidin‐4‐yl]oxy}phenyl)‐3‐methoxyprop‐2‐enoate O=C(OC)\C(=C\OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1 WFDXOXNFNRHQEC‐GHRIWEEISA‐N |
|
| 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 is 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 |
|
| 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 is given for illustrative purposes. S‐(2‐cyano‐4‐hydroxyphenyl)cysteine O=C(O)C(N)CSc1ccc(O)cc1C#N HHJSURCWSNDRKW‐UHFFFAOYSA‐N |
|
| 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 is 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 |
|
| 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 is 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 |
|
IUPAC: International Union of Pure and Applied Chemistry; SMILES: simplified molecular‐input line‐entry system; InChiKey: International Chemical Identifier Key.
ACD/Name 2021.1.3 ACD/Labs 2021.1.3 (File Version N15E41, Build 123232, 7 July 2021).
ACD/ChemSketch 2021.1.3 ACD/Labs 2021.1.3 (File Version C25H41, Build 123835, 28 August 2021).