Compound Identification
SMILES
BrCC(=O)C1=NNN=N1
InChIKey
InChIKey=WQJZLFSZPPYWIY-UHFFFAOYSA-N
Formula
C3H3BrN4O
Mass
190.988
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
Tetrazoles Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - Alpha-haloketone - Azole - Tetrazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available