Structure Information
Structure

Compound Identification

SMILES

COC1=CC(Br)=CC(=CNNC2=NC(=O)[C@H](CC([O-])=O)S2)C1=O

InChIKey

InChIKey=ZMZCQKQSDIHXRB-VIFPVBQESA-M

Formula

C13H11BrN3O5S

Mass

401.21

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

O-quinomethane - Meta-thiazoline - Vinylogous amide - Carboxylic acid salt - N-acylimine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Vinyl bromide - Vinyl halide - Azacycle - Bromoalkene - Organoheterocyclic compound - Haloalkene - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic anion - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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