Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=CNCCCNC2=C(Cl)C=C(C=C2)[N+]([O-])=O)C(=O)C=C1

InChIKey

InChIKey=RMCRTEJRRZBHKQ-UHFFFAOYSA-N

Formula

C17H18ClN3O3

Mass

347.8

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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 - O-quinomethane - Phenylalkylamine - Aniline or substituted anilines - Quinomethane - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Vinylogous amide - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Secondary aliphatic amine - Enamine - Allylamine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic salt - Organic nitrogen compound - 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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