Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)C12CC3CC(CC(C3)(C1)C(=O)CCl)C2

InChIKey

InChIKey=IJRDCQFBVJZMAA-UHFFFAOYSA-N

Formula

C13H16ClN3O7

Mass

361.74

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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 - Alpha-haloketones

Direct Parent

Alpha-chloroketones

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Alpha-chloroketone - C-nitro compound - Ortho amide - Orthocarboxylic acid derivative - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Alkyl halide - Organic nitrogen compound - Organic salt - Organic cation - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine atom attached to the alpha carbon atom relative to C=O group.

External Descriptors

Not available

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