Structure Information
Structure

Compound Identification

SMILES

CN(C\C(=N/OCC1=CN=CN1)C(CCN1CCC(CC1)N1CCCCC1=O)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1

InChIKey

InChIKey=IKHGNAJUVAULNG-MNIDXLESSA-N

Formula

C33H38Cl4N6O3

Mass

708.51

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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 - 1,2-dichlorobenzene - Benzoyl - Halobenzene - Piperidinone - Delta-lactam - Chlorobenzene - Aralkylamine - Aryl halide - Aryl chloride - Piperidine - Tertiary carboxylic acid amide - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Oxime ether - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organochloride - 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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