Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=JOGQYSNFOLZOSW-UHFFFAOYSA-N

Formula

C16H19BrN6O3

Mass

423.271

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzoyl - Dialkylarylamine - Nitroaromatic compound - Halobenzene - Bromobenzene - Aminopyrimidine - Aryl bromide - Pyrimidine - Aryl halide - Imidolactam - Heteroaromatic compound - C-nitro compound - Carboxylic acid hydrazide - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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