Structure Information
Structure

Compound Identification

SMILES

CC1CN1C1=C(C)C(=O)C(N2CC2C)=C(Br)C1=O

InChIKey

InChIKey=YJWYZAHSQLBMHV-UHFFFAOYSA-N

Formula

C13H15BrN2O2

Mass

311.179

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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 - Quinones - Benzoquinones - P-benzoquinones

Direct Parent

P-toluquinones

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

P-toluquinone - Alpha-haloketone - Vinylogous halide - Vinylogous amide - Vinylaziridine - N-vinylaziridine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Enamine - Vinyl bromide - Vinyl halide - Aziridine - Organoheterocyclic compound - Haloalkene - Bromoalkene - Organohalogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-toluquinones. These are toluene with two ketone group attached to the benzene ring in a para-relationship.

External Descriptors

Not available

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