Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(C=NNC(=O)C2=CC(Cl)=CC=C2)=C1)N(CCCl)CCCl

InChIKey

InChIKey=KHTUMNFNBKXCFV-UHFFFAOYSA-N

Formula

C19H20Cl3N3O2

Mass

428.74

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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 - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Nitrogen mustard - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Tertiary amine - Amino acid or derivatives - Ether - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Organic nitrogen compound - Organic oxygen compound - Amine - Alkyl halide - Organochloride - Organonitrogen 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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