Structure Information
Structure

Compound Identification

SMILES

CNC1=NC(NC2=CC(Br)=C(Cl)C=C2)=NC=C1[N+]([O-])=O

InChIKey

InChIKey=SSMVQPUMHKXVOJ-UHFFFAOYSA-N

Formula

C11H9BrClN5O2

Mass

358.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

C-nitro compounds

Direct Parent

Nitroaromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aniline or substituted anilines - Nitroaromatic compound - Aminopyrimidine - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Aryl bromide - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organobromide - Organic oxide - Organohalogen compound - Organic salt - Amine - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.

External Descriptors

Not available

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