Structure Information
Structure

Compound Identification

SMILES

Cl.CC(C)(C)NCC(O)C1=CC(C#N)=C(N)C=C1

InChIKey

InChIKey=CHXQOELWHKBYCB-UHFFFAOYSA-N

Formula

C13H20ClN3O

Mass

269.77

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzonitrile - Aniline or substituted anilines - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Organic nitrogen compound - Aromatic alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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