Structure Information
Structure

Compound Identification

SMILES

CCOP1(=O)N\C(NC2=C1C=C(Cl)C=C2C(N)=O)=C1\C(=O)[C@@H](N(CCC(C)(C)C)C1=O)C(C)(C)C

InChIKey

InChIKey=CYHDWFFJCYTAPH-KGWSMRRRSA-N

Formula

C24H34ClN4O5P

Mass

524.98

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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 - Aryl chloride - Aryl halide - Phosphonic acid ester - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Phosphonic amide ester - N-alkylpyrrolidine - Organophosphonic acid derivative - Pyrrolidine - Tertiary carboxylic acid amide - Vinylogous amide - Cyclic ketone - Primary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Ketone - Lactam - Azacycle - Phosphacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen 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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