Structure Information
Structure

Compound Identification

SMILES

C\C(CN1C=NC(=N1)[N+]([O-])=O)=N\NC(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=AXKLWJOPUQVVIY-NVNXTCNLSA-N

Formula

C12H11BrN6O3

Mass

367.163

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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 - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Heteroaromatic compound - Azole - 1,2,4-triazole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic salt - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - 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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