Compound Identification
SMILES
CC(NC1=C(C=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O)C(=O)N(C)O
InChIKey
InChIKey=GSAZANFQDGPKJQ-UHFFFAOYSA-N
Formula
C11H14N4O6
Mass
298.255
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
-
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
Dinitroanilines Alpha amino acid amides Alanine and derivatives Nitrobenzenes Nitroaromatic compounds Phenylalkylamines Aminotoluenes Secondary alkylarylamines Hydroxamic acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitrotoluene - Dinitroaniline - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Aminotoluene - Phenylalkylamine - Secondary aliphatic/aromatic amine - Amino acid or derivatives - Hydroxamic acid - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic salt - 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