Structure Information
Structure

Compound Identification

SMILES

NC1CCC(CC1)NC1=C(C=C(C=C1)C#N)[N+]([O-])=O

InChIKey

InChIKey=KVOIAIUNQMJBQS-UHFFFAOYSA-N

Formula

C13H16N4O2

Mass

260.297

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Benzonitrile - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Cyclohexylamine - Secondary aliphatic/aromatic amine - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Cyanide - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organic zwitterion - Primary aliphatic amine - Hydrocarbon derivative - Organic salt - Organic oxide - Aromatic homomonocyclic 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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