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Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=SJBHSHFANNUARY-UHFFFAOYSA-N

Formula

C23H17ClN4O7S

Mass

528.92

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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

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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