Structure Information
Structure

Compound Identification

SMILES

CCN.CC1=C(C=C(C(O)=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O

InChIKey

InChIKey=YTSOGMMBFWHTMI-UHFFFAOYSA-N

Formula

C13H21N3O5

Mass

299.327

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Nitrophenols

Intermediate Tree Nodes

Not available

Direct Parent

Dinitrophenols

Alternative Parents

Dinitrotoluenes Phenylpropanes Nitrobenzenes Nitroaromatic compounds Meta cresols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Dinitrophenol - Dinitrotoluene - Nitrobenzene - Phenylpropane - Nitrotoluene - Nitroaromatic compound - M-cresol - Toluene - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Primary amine - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.

External Descriptors

Not available

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