Compound Identification
SMILES
BrCC(=O)C1=CC=C(N[N+]#N)C=C1
InChIKey
InChIKey=LZJPDRANSVSGOR-UHFFFAOYSA-O
Formula
C8H7BrN3O
Mass
241.067
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl 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 - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylhydrazines Benzoyl derivatives Aryl alkyl ketones Alpha-haloketones Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Phenylhydrazine - Aryl alkyl ketone - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Hydrocarbon derivative - Alkyl halide - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl bromide - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available