Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CNNC(=O)OC(C)(C)C)C=C(Br)C1=O

InChIKey

InChIKey=YGXVONLKVAOXPH-UHFFFAOYSA-N

Formula

C13H17BrN2O4

Mass

345.193

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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

P-quinomethanes

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

P-quinomethane - Hydrazinecarboxylic acid ester - Alpha-haloketone - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.

External Descriptors

Not available

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