Structure Information
Structure

Compound Identification

SMILES

OC1=C(I)C=CC(=C1)C(=O)NN=CC1=CC=C(O1)C1=C(Cl)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=SWQXGMNZEFOFBS-UHFFFAOYSA-N

Formula

C18H11ClIN3O5

Mass

511.66

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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 heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2-iodophenol - 2-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Heteroaromatic compound - Furan - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organoiodide - Organonitrogen compound - Aromatic heteromonocyclic 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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