Compound Identification
SMILES
ClC1=CC(=CNNC(=O)CC#N)C(=O)C(Br)=C1
InChIKey
InChIKey=MAEGJRXUROYOKC-UHFFFAOYSA-N
Formula
C10H7BrClN3O2
Mass
316.54
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
-
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-haloketones Carboxylic acid hydrazides Vinyl chlorides Vinyl bromides Nitriles Chloroalkenes Bromoalkenes Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
O-quinomethane - Alpha-haloketone - Vinylogous amide - Carboxylic acid hydrazide - Carboxylic acid derivative - Carbonitrile - Nitrile - Vinyl bromide - Vinyl chloride - Vinyl halide - Haloalkene - Bromoalkene - Chloroalkene - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Hydrocarbon derivative - Aliphatic homomonocyclic 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