Structure Information
Structure

Compound Identification

SMILES

CO\N=C(/CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1)[C@H](CCN1CCC(CC1)N1CCCN(CC2=CC=CC=N2)C1=O)C1=CC(Cl)=C(Cl)C=C1

InChIKey

InChIKey=XUGHCVWAIHDURA-KADXFBGESA-N

Formula

C35H40Cl4N6O3

Mass

734.54

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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 heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - Benzoyl - 1,2-dichlorobenzene - Halobenzene - Aralkylamine - Chlorobenzene - Pyrimidone - Aryl chloride - Aryl halide - 1,3-diazinane - Piperidine - Pyridine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Oxime ether - Tertiary aliphatic amine - Urea - Carboxamide group - Amino acid or derivatives - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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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