Compound Identification
SMILES
C\C(NNC1=NC=CN=C1Cl)=C1\C=CC(=O)C(C)=C1
InChIKey
InChIKey=XBIQUTAZWOZLKD-MDZDMXLPSA-N
Formula
C13H13ClN4O
Mass
276.72
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 P-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
P-quinomethanes
Alternative Parents
Pyrazines Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - Aryl chloride - Aryl halide - Pyrazine - Imidolactam - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrazine derivative - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available