Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@@H](CC(=O)C1=CC=C(Cl)C=C1)NCC1=CN=CC=C1

InChIKey

InChIKey=AKJSULODCDBQFB-CQSZACIVSA-N

Formula

C16H15ClN2O3

Mass

318.76

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Keto acid - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

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