Structure Information
Structure

Compound Identification

SMILES

CN1CC2(CC(C1)(C1=CC=CC=C1C2=O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=BUKRPEDOSMOQEB-UHFFFAOYSA-N

Formula

C13H13N3O5

Mass

291.263

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Nitronaphthalenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitronaphthalenes

Alternative Parents

Benzazocines Tetralins Aryl alkyl ketones Aralkylamines Piperidines Trialkylamines C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-nitronaphthalene - 2-nitronaphthalene - Benzazocine - Tetralin - Aryl alkyl ketone - Aryl ketone - Aralkylamine - Piperidine - Ketone - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.

External Descriptors

Not available

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