Compound Identification
SMILES
CC(=O)C1=C(OCC2CN(CCO2)C(=O)C2=C(C)C(Br)=CC=C2)C=CC(Cl)=C1
InChIKey
InChIKey=KJTWVZFTGORXDI-UHFFFAOYSA-N
Formula
C21H21BrClNO4
Mass
466.76
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
3-halobenzoic acids and derivatives o-Toluamides Acetophenones Morpholine carboxylic acids and derivatives Benzamides Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organobromides Hydrocarbon derivatives Organonitrogen compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Acetophenone - Benzamide - O-toluamide - Toluamide - Benzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Toluene - Benzenoid - Aryl chloride - Oxazinane - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Morpholine - Tertiary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - 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