Structure Information
Structure

Compound Identification

SMILES

CC(O)CNC1=C(C=C(C(N2CCN(CC2)C2=C(C=C(C=C2)C(F)(F)F)[N+]([O-])=O)=C1C)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=JIIQRXOSGXAWLQ-UHFFFAOYSA-N

Formula

C21H23F3N6O7

Mass

528.445

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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

Dinitroaniline - Dinitrotoluene - Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Secondary aliphatic/aromatic amine - 1,4-diazinane - Piperazine - Organic nitro compound - C-nitro compound - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Amine - Organic zwitterion - Alcohol - Organic oxygen compound - 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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