Structure Information
Structure

Compound Identification

SMILES

COC1=CC(Br)=CC(NC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)=C1

InChIKey

InChIKey=KXSOJXVKATXFQL-UHFFFAOYSA-N

Formula

C13H9BrN4O7

Mass

413.14

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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

Aminophenyl ether - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Primary aromatic amine - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Ether - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - 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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