Structure Information
Structure

Compound Identification

SMILES

CCCNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=O)[C@@H]1O[C@H]21

InChIKey

InChIKey=VBALJBCTFQIIHN-JBLDHEPKSA-N

Formula

C12H13BrN2O4

Mass

329.15

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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

Direct Parent

Cyclohexenones

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cyclohexenone - Alpha-haloketone - Isoxazoline - Carboxamide group - Oxime ether - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Bromoalkene - Oxacycle - Azacycle - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aldehyde - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

External Descriptors

Not available

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