Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1C(CC(=CC1=O)C1=CC=C(C=C1)[N+]([O-])=O)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=CILKXGPCOBRKGH-UHFFFAOYSA-N

Formula

C21H18ClNO5

Mass

399.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Cyclohexenone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-dicarbonyl compound - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Cyclic ketone - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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