Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC(=O)C2=C(C1)OC(C1=CC=C(I)O1)C(C#N)=C2N

InChIKey

InChIKey=AVSYGQHCWIAVPO-UHFFFAOYSA-N

Formula

C16H15IN2O3

Mass

410.211

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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

Aromatic heteropolycyclic compounds

Substituents

Cyclohexenone - Aryl halide - Aryl iodide - Pyran - Furan - Heteroaromatic compound - Vinylogous ester - Enamine - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Aromatic 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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