Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC(Cl)=C1C(=O)N1C=C(C2=C1C=CN=C2)C1=CCN2CCCC2C1

InChIKey

InChIKey=NJGJYYJRKPMKJU-UHFFFAOYSA-N

Formula

C22H19Cl2N3O

Mass

412.31

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Pyrrolopyridine - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - N-alkylpyrrolidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Vinylogous halide - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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