Compound Identification
SMILES
CC1OC(C)(C)C2=C1C(=CC=C2)N=C(O)C1=C(Cl)N(C)N=C1C
InChIKey
InChIKey=NRTLIYOWLVMQBO-UHFFFAOYSA-N
Formula
C17H20ClN3O2
Mass
333.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
Benzenoids Aryl chlorides Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Carboximidic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Aryl chloride - Aryl halide - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
CHEBI:83118 :
pyrazoles - organochlorine compound - 1-benzofurans - aromatic amide
KEGG (C18503) :
Amide fungicides