Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(S1)C=NC1=NN=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2)S1

InChIKey

InChIKey=NPOQKPYCDMYVAW-UHFFFAOYSA-N

Formula

C14H7Cl2N5O3S2

Mass

428.26

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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 - 2-nitrothiophene - Nitrothiophene - Benzamide - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiadiazole - Thiophene - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Shiff base - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Aldimine - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic salt - Organic zwitterion - Hydrocarbon derivative - Imine - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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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