Structure Information
Structure

Compound Identification

SMILES

NC1=C(CC(C#N)(C#N)C1(CC(=O)C1=CC=C(Cl)C=C1)C#N)C=O

InChIKey

InChIKey=IYAGEMXJKIIFOC-UHFFFAOYSA-N

Formula

C17H11ClN4O2

Mass

338.75

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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 homomonocyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Gamma-aminoketone - Vinylogous amide - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Primary amine - Organic nitrogen compound - Cyanide - Aldehyde - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic 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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