Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)COC(=O)C1=CC=C(C=C1)N1C(=O)C2=CC=CC=C2C2=CC=CC=C2C1=O
InChIKey
InChIKey=IHYVACIKYNOHMY-UHFFFAOYSA-N
Formula
C29H18BrNO5
Mass
540.369
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
Benzazepines Benzoic acid esters Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Azepines Aryl bromides Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzazepine - Benzoate ester - Benzoic acid or derivatives - Aryl alkyl ketone - Benzoyl - Azepine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Lactam - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic 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