Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC(=O)[C@]2(CC[C@](C)([C@@H]2C1)[N+]([O-])=O)C#N

InChIKey

InChIKey=GRPNFIMBQVFSPI-CYZMBNFOSA-N

Formula

C13H16N2O4

Mass

264.281

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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 homopolycyclic compounds

Substituents

Cyclohexenone - Vinylogous ester - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Organonitrogen compound - Organic salt - Cyanide - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic 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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