Compound Identification
SMILES
COC1(OC)OC(C2=CC=CC=C2)=C(C#N)C(C2=CC=C(Cl)C=C2)C1(OC)OC
InChIKey
InChIKey=GTLDLWIETKBQHX-UHFFFAOYSA-N
Formula
C22H22ClNO5
Mass
415.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
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Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Ortho esters Ketals Carboxylic acid orthoesters Aryl chlorides Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Carboxylic acid orthoester - Ketal - Chlorobenzene - Ortho ester - Aryl chloride - Aryl halide - Orthocarboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available