Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=POWXQPBHTOUNNT-UHFFFAOYSA-N

Formula

C14H13ClN4O6S

Mass

400.79

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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 homomonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl halide - N-acyl-amine - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiosemicarbazide - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic 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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