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CHEBI:4520 - diethofencarb

ChEBI IDCHEBI:4520
ChEBI Namediethofencarb
Stars
DefinitionA carbamate ester that is the isopropyl ester of (3,4-diethoxyphenyl)carbamic acid. A fungicide with strong activity against Botrytis cinerea and benzimidazole-resistant strains of Botryis spp.
Last Modified22 July 2015
DownloadsMolfile
FormulaC14H21NO4
Net Charge0
Average Mass267.325
Monoisotopic Mass267.14706
SMILESCCOc1ccc(NC(=O)OC(C)C)cc1OCC
InChIInChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKeyLNJNFVJKDJYTEU-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
diethofencarb (CHEBI:4520) has functional parent aniline (CHEBI:17296)
diethofencarb (CHEBI:4520) has role antifungal agrochemical (CHEBI:86328)
diethofencarb (CHEBI:4520) is a aromatic ether (CHEBI:35618)
diethofencarb (CHEBI:4520) is a carbamate ester (CHEBI:23003)
diethofencarb (CHEBI:4520) is a carbanilate fungicide (CHEBI:87066)
IUPAC Name 
propan-2-yl (3,4-diethoxyphenyl)carbamate
Synonyms  Source
Isopropyl 3,4-diethoxycarbanilateChemIDplus
1-Methylethyl (3,4-diethoxyphenyl)carbamateChemIDplus
isopropyl (3,4-diethoxyphenyl)carbamateIUPAC
1-methylethyl N-(3,4-diethoxyphenyl)carbamateAlan Wood's Pesticides
Manual XrefsDatabases
C11077KEGG COMPOUND
diethofencarbAlan Wood's Pesticides
228PPDB
Registry NumbersSources
Reaxys:8393454Reaxys
CAS:87130-20-9KEGG COMPOUND
CAS:87130-20-9ChemIDplus
CAS:87130-20-9NIST Chemistry WebBook
Citations