Structure Information
Structure

Compound Identification

SMILES

COC(=O)CSC1=CC(=CC2=C1C(=NO2)C1OCCO1)[N+]([O-])=O

InChIKey

InChIKey=DVXWWOQQDRJCAN-UHFFFAOYSA-N

Formula

C13H12N2O7S

Mass

340.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzisoxazole - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Benzenoid - Meta-dioxolane - Azole - Isoxazole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organic oxoazanium - Thioether - Azacycle - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.

External Descriptors

Not available

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