Structure Information
Structure

Compound Identification

SMILES

CCCNC1=CC(=C(C=C1)[N+](C)(O)CC(C)O)[N+]([O-])=O

InChIKey

InChIKey=XTRVWRYAUNCOHQ-UHFFFAOYSA-N

Formula

C13H22N3O4

Mass

284.335

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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 - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - C-nitro compound - Secondary alcohol - Organic nitro compound - Organic oxoazanium - Secondary amine - N-organohydroxylamine - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - 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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