Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1CCCC[C@H]1NC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=BQPPVWQNUGVMPC-CHWSQXEVSA-N

Formula

C13H18N2O3

Mass

250.298

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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 - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Cyclohexylamine - Secondary aliphatic/aromatic amine - C-nitro compound - Organic nitro compound - Dialkyl ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Secondary amine - Organic oxoazanium - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - 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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