Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)[C@@H](C2=COC=C2)C2=C(CCCC2=O)O1

InChIKey

InChIKey=IHZCJVANZPHHSU-GFCCVEGCSA-N

Formula

C14H12N2O3

Mass

256.261

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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 - Pyran - Furan - Vinylogous ester - Heteroaromatic compound - Ketene acetal or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Primary aliphatic 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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