Compound Identification
SMILES
CN1NC(C2=CC=CC=C2)=C(C#N)C(=O)CC1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PMPVGQMHXSRLKN-UHFFFAOYSA-N
Formula
C19H16ClN3O
Mass
337.81
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
Aryl chlorides Vinylogous amides Cyclic ketones Nitriles Azacyclic compounds Alkylhydrazines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Ketone - Cyclic ketone - Alkylhydrazine - Carbonitrile - Azacycle - Organoheterocyclic compound - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Hydrazine derivative - Organopnictogen compound - Carbonyl group - 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