Structure Information
Structure

Compound Identification

SMILES

BrC1=C(OCC2=CC=CC=C2)C=CN(CC2=CC=C(C=C2)C#N)C1=O

InChIKey

InChIKey=ZMQAAYBUCPJPFN-UHFFFAOYSA-N

Formula

C20H15BrN2O2

Mass

395.256

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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

Benzonitrile - Alkyl aryl ether - Dihydropyridine - Pyridinone - Aryl bromide - Aryl halide - Hydropyridine - Pyridine - Heteroaromatic compound - Vinylogous ester - Lactam - Ether - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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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