Structure Information
Structure

Compound Identification

SMILES

COC1=C\C(=C/NC2=C(C#N)C(C)=C(C)O2)C=C(Br)C1=O

InChIKey

InChIKey=QDILJIUFZHPGBM-YFHOEESVSA-N

Formula

C15H13BrN2O3

Mass

349.184

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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

Aromatic heteromonocyclic compounds

Substituents

P-quinomethane - Alpha-haloketone - Furan - Heteroaromatic compound - Enamine - Carbonitrile - Nitrile - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Bromoalkene - Oxacycle - Organopnictogen compound - Organic nitrogen compound - Aldehyde - Organohalogen compound - Organobromide - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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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