Structure Information
Structure

Compound Identification

SMILES

NC(=O)OCCC1=C(N2CC2)C(=O)C(Br)=C(N2CC2)C1=O

InChIKey

InChIKey=YYSNCOVRWLBFEW-UHFFFAOYSA-N

Formula

C13H14BrN3O4

Mass

356.176

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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

Direct Parent

P-benzoquinones

Alternative Parents

Vinylogous halides Vinylogous amides N-vinylaziridines Carbamate esters Alpha-haloketones Trialkylamines Organic carbonic acids and derivatives Vinyl bromides Enamines Bromoalkenes Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.

External Descriptors

Not available

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