Compound Identification
SMILES
COC1=CC=CC=C1N1CC(CC1=O)C(=O)OCC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=IEAHWCBQRMWRAH-UHFFFAOYSA-N
Formula
C20H18BrNO5
Mass
432.27
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 Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Oxoprolines Phenoxy compounds Pyrrolidine carboxylic acids Alpha-acyloxy ketones Bromobenzenes Alkyl aryl ethers Aryl bromides Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrolidine - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Oxoproline - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid - Aryl alkyl ketone - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Bromobenzene - Halobenzene - Alpha-acyloxy ketone - Benzenoid - Aryl bromide - Monocyclic benzene moiety - 2-pyrrolidone - Pyrrolidone - Aryl halide - Pyrrole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactam - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - 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