Structure Information
Structure

Compound Identification

SMILES

CC1=C(N2CCCC2)C(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=XBIXCDGLUZJKMJ-UHFFFAOYSA-N

Formula

C11H12ClN3O4

Mass

285.68

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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 Phenylpyrrolidines Nitrobenzenes Aminotoluenes Dialkylarylamines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Pyrroles Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dinitroaniline - Dinitrotoluene - 1-phenylpyrrolidine - Nitrobenzene - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrrolidine - Pyrrole - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Amine - Organochloride - Organonitrogen compound - Organohalogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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