Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(CSCC(=O)NN=CC2=CC3=C(OCO3)C=C2Br)C=C1

InChIKey

InChIKey=IZLAGEDXGNCBIG-UHFFFAOYSA-N

Formula

C17H14BrN3O5S

Mass

452.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodioxoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodioxole - Nitrobenzene - Nitroaromatic compound - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organonitrogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

External Descriptors

Not available

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