Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=GQPWXQIRPQMEIJ-UHFFFAOYSA-N

Formula

C9H8N2O6

Mass

240.171

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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

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dinitrotoluene - Nitrobenzoate - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic cation - 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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