Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=NQRJJFZHSKFVMA-UHFFFAOYSA-N

Formula

C21H29BrN4O2

Mass

449.393

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Cumenes

Intermediate Tree Nodes

Not available

Direct Parent

Cumenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cumene - Phenylpropane - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Methylpyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic salt - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.

External Descriptors

Not available

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