Compound Identification
SMILES
CC1=C(C=C(C=C1[N+]([O-])=O)C(=O)N=[N+]=[N-])[N+]([O-])=O
InChIKey
InChIKey=VJZZTDJQRRAWOS-UHFFFAOYSA-N
Formula
C8H5N5O5
Mass
251.158
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
p-Toluamides Nitrobenzenes Benzoic acids and derivatives Nitroaromatic compounds Benzoyl derivatives Carboxylic acid azides Azo imides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitrotoluene - Benzoic acid or derivatives - P-toluamide - Toluamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxylic acid azide - Azo compound - Azo imide - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic homomonocyclic 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