Structure Information
Structure

Compound Identification

SMILES

OCCNCCO.[O-][N+](=O)C1=CC=CC=C1NCC=C

InChIKey

InChIKey=IJPXMXVIBPRXAI-UHFFFAOYSA-N

Formula

C13H21N3O4

Mass

283.328

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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

Not available

Substituents

Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Alkanolamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Secondary amine - Organic oxoazanium - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic zwitterion - Amine - Organic oxide - Hydrocarbon derivative - 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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