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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Toluenes
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Level 5
Nitrotoluenes
- Level 6 Dinitrotoluenes
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Level 5
Nitrotoluenes
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Nitrotoluenes
Direct Parent
Dinitrotoluenes
Alternative Parents
Glycosylamines Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Phenylalkylamines Oxanes Monosaccharides Secondary alcohols Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Polyols Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Primary alcohols
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