Structure Information
Structure

Compound Identification

SMILES

COC[C@@H]1CCCN1C(=O)C1=C(Cl)C=C(C=C1)C(=O)NCC1=NC2=C(N1)C=C(Cl)C=C2

InChIKey

InChIKey=MBNHPMURMAASQJ-HNNXBMFYSA-N

Formula

C22H22Cl2N4O3

Mass

461.34

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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 heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzimidazole - N-acylpyrrolidine - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Azole - Imidazole - Tertiary carboxylic acid amide - Pyrrolidine - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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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