Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1C(\C(=C(/O)C2=CC=CC=C2)C(=O)C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PEHVIGYLMDVVCD-XTQSDGFTSA-N
Formula
C25H18BrNO4
Mass
476.326
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
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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
Alkyl-phenylketones
Alternative Parents
Phenylpyrrolidines Acetophenones Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Aryl bromides Pyrrolidine-2-ones Pyrrolidine-3-ones Pyrroles Tertiary carboxylic acid amides Vinylogous acids Lactams Cyclic ketones Enols Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrolidine - 2-phenylpyrrolidine - Acetophenone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Pyrrolidine - Cyclic ketone - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Enol - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic 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