Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(=O)NC1=C(C(O)=O)C2=C(S1)C(CN1OC3=CC=CC=C3C1=O)OCC2

InChIKey

InChIKey=OCLRVOBXWHRJTH-UHFFFAOYSA-N

Formula

C18H14N2O8S

Mass

418.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Benzisoxazolones

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazolones

Alternative Parents

Alpha amino acids and derivatives Thienopyrans Thiophene carboxylic acids N-arylamides Pyrans Benzenoids Vinylogous amides Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Benzisoxazolone - Thienopyran - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - N-arylamide - Pyran - Benzenoid - Vinylogous amide - Azole - Thiophene - Heteroaromatic compound - Isoxazole - Carboxamide group - Lactam - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzisoxazolones. These are aromatic compounds containing a benzene ring fused to an isoxazolone moiety.

External Descriptors

Not available

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