Structure Information
Structure

Compound Identification

SMILES

NN1CN(CNC1NC1=CC=C(C=C1)C#N)OC1=C(Cl)C=C(Cl)C=C1Cl

InChIKey

InChIKey=BPXLUEGGLWZZDA-UHFFFAOYSA-N

Formula

C16H15Cl3N6O

Mass

413.69

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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 heteromonocyclic compounds

Substituents

Phenoxy compound - O-phenylhydroxylamine - Benzonitrile - Aniline or substituted anilines - Phenylalkylamine - Chlorobenzene - Halobenzene - 1,3,5-triazinane - Aryl chloride - Aryl halide - Triazinane - Ortho amide - Orthocarboxylic acid derivative - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Alkylhydrazine - Carbonitrile - Nitrile - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrazine derivative - Hydrocarbon derivative - Cyanide - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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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