Structure Information
Structure

Compound Identification

SMILES

CCN1CC=C2[C@H](C1)[C@@H](C1=C(C=C(Cl)C=C1)[N+]([O-])=O)C(C#N)(C#N)C(N)=C2C#N

InChIKey

InChIKey=UESUBFIIKWYOTQ-FUHWJXTLSA-N

Formula

C20H17ClN6O2

Mass

408.85

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Primary amine - Primary aliphatic amine - Organic oxide - Cyanide - Organic salt - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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