Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCCCCNC(=O)C1=CC(=C(Br)C(=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=LDRLGKRGWDTZAO-UHFFFAOYSA-N

Formula

C13H14BrN3O7

Mass

404.173

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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 homomonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Medium-chain fatty acid - Nitroaromatic compound - Benzoyl - Halobenzene - Halogenated fatty acid - Bromobenzene - Aryl halide - Aryl bromide - Fatty acid - Fatty acyl - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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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