azoxystrobin
Chemical compound
Also known as 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 · METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE
- Formula
- C₂₂H₁₇N₃O₅
1
- C₂₂H₁₇N₃O₅
- Mass
- 403.117 Da
1
- 403.117 Da
- Density
- 1.34 g/cm³
Overview
Chemistry
All data
92 statements · 27% with external sources · numbers in brackets are citations
- Canonical SMILES
- COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC
1
- COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC
- Isomeric SMILES
- CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC
1
- CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC
On other databases
37 identifiers linking azoxystrobin across the web's reference databases
- CAB ID52710
- Cannabis Database ID006202
- CAS Registry Number131860-33-8
- ChEBI ID40909
- ChEMBL IDCHEMBL230001
- ChemSpider ID2298772
- DrugBank IDDB07401
- DSSTOX compound identifierDTXCID8012520
- DSSTox substance IDDTXSID0032520
- EC number603-524-3
- ECHA Substance Infocard ID100.127.964
- Encyclopedia of China (Third Edition) ID (2026)1whqVe
- Encyclopedia of China (Third Edition) old ID (2021)316057
- Freebase ID/m/02rwl92
- HCIS ID331
- HSDB ID7017
- InChIInChI=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+
- InChIKeyWFDXOXNFNRHQEC-GHRIWEEISA-N
- J9U entity ID987013010522405171
- KEGG IDC18558
- KNApSAcK IDC00059642
- MassBank accession IDSM840502
- Microsoft Academic ID (discontinued)2779067301
- Nikkaji IDJ588.357A
- OpenAlex IDC2779067301
- PDB ligand IDAZO
- PDB structure ID1SQB
- PesticideInfo chemical IDPRI1372
- Probes And Drugs IDPD005287
- PubChem CID3034285
- Reaxys registry number8350244
- Römpp online IDRD-01-04176
- SPLASHsplash10-00di-0009000000-f90c3fb664941cf734b0
- SureChEMBL ID18823
- UniChem compound ID153237
- UNIINYH7Y08IPM
- ZVG number531683