Structure Information
Structure

Compound Identification

SMILES

CC1=C(I)C=C(C=C1)C(=O)NNC(=O)CCC(=O)NC1=CC=CC=C1

InChIKey

InChIKey=QZHVHWIJSDFTRH-UHFFFAOYSA-N

Formula

C18H18IN3O3

Mass

451.264

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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

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - P-toluamide - Toluamide - Anilide - Benzoyl - N-arylamide - Iodobenzene - Halobenzene - Toluene - Aryl halide - Aryl iodide - Fatty amide - Fatty acyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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