Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(NC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=YGGQRUODYYKCTL-HENWMNBSSA-N

Formula

C13H17N3O9

Mass

359.291

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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 - Glycosyl compound - N-glycosyl compound - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Monosaccharide - Oxane - C-nitro compound - Organic nitro compound - Secondary alcohol - Organic oxoazanium - Oxacycle - Polyol - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic salt - 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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