Compound Identification
SMILES
ClC(Cl)(Cl)C1=NC(=CC=C2C=CC(=O)C=C2)N=C(N1)C(Cl)(Cl)Cl
InChIKey
InChIKey=CCIMENKHGVAXGO-UHFFFAOYSA-N
Formula
C13H7Cl6N3O
Mass
433.92
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
Nitrogen mustard compounds Imidolactams 1,3,5-triazines Ketene acetals Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines Alkyl chlorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Nitrogen mustard - P-quinomethane - Triazine - Imidolactam - 1,3,5-triazine - Ketene acetal or derivatives - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amidine - Carboxylic acid amidine - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Amine - Alkyl halide - Alkyl chloride - Aliphatic 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