Compound Identification
SMILES
OC1=C(Cl)C=C(C=C1)C(=O)C1=C(C(Br)=C2C=CC=CN12)C1=CC=CC=C1
InChIKey
InChIKey=BWIMTFRJLKDGNL-UHFFFAOYSA-N
Formula
C21H13BrClNO2
Mass
426.69
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 Aryl-phenylketones
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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
Aryl-phenylketones
Alternative Parents
Phenylpyrroles Indolizines Benzoyl derivatives O-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - 3-phenylpyrrole - Indolizine - Pyrrolopyridine - Benzoyl - 2-halophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Aryl halide - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - Pyrrole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available