Structure Information
Structure

Compound Identification

SMILES

CC1=C(F)C(=C(N(F)[C@@H]2CCCN2)C(=C1F)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=KMOMQQCLTZWMGB-ZCFIWIBFSA-N

Formula

C11H11F3N4O4

Mass

320.228

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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 heteromonocyclic compounds

Substituents

Dinitrotoluene - Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyrrolidine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic 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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