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Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=NN(C(=O)C2=C(NC(=O)C3=C(Cl)C=CC(=C3)[N+]([O-])=O)SC=C12)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=TYLZNWMNBNTTCK-UHFFFAOYSA-N

Formula

C22H14Cl2N4O6S

Mass

533.34

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Thienopyridazine - Thieno[3,4-d]pyridazine - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Halobenzene - Pyridazinone - Chlorobenzene - Aryl chloride - Pyridazine - Aryl halide - Vinylogous amide - Vinylogous halide - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic zwitterion - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen 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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