Compound Identification
SMILES
CCNC1=CC(N)[N+](CC)=C2N=NC(N\C=C3\C=C(Cl)C=C(Cl)C3=O)=C12
InChIKey
InChIKey=WDFWZJBXMJGQCN-HJWRWDBZSA-O
Formula
C17H19Cl2N6O
Mass
394.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Vinylogous amides Alpha-chloroketones Ketene acetals Azo compounds Vinyl chlorides Enamines Dialkylamines Chloroalkenes Azacyclic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
O-quinomethane - Alpha-haloketone - Alpha-chloroketone - Vinylogous amide - Azo compound - Ketene acetal or derivatives - Secondary aliphatic amine - Enamine - Vinyl chloride - Vinyl halide - Azacycle - Organoheterocyclic compound - Haloalkene - Chloroalkene - Organonitrogen compound - Organochloride - Primary amine - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic cation - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available