Structure Information
Structure

Compound Identification

SMILES

O[N+]([O-])=O.CC(CN1C=CC=N1)C(=O)C1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=NGBBFINJIKDLPN-UHFFFAOYSA-N

Formula

C20H20ClN3O5

Mass

417.85

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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 - Phenylpropane - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Organic nitrate - Pyrazole - Heteroaromatic compound - Azole - Organic nitric acid or derivatives - Organic nitro compound - Organic nitric acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organohalogen compound - Organic zwitterion - Organonitrogen compound - Organochloride - 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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