Structure Information
Structure

Compound Identification

SMILES

CO.CCC(C)C1=CC(=C(NC(CC)CC)C(=C1C)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=KQBVSQBRTONUJN-UHFFFAOYSA-N

Formula

C17H29N3O5

Mass

355.435

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Nitrotoluenes

Direct Parent

Dinitrotoluenes

Alternative Parents

Dinitroanilines Phenylpropanes Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Aminotoluenes Secondary alkylarylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

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

Description

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

External Descriptors

Not available

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