Compound Identification
SMILES
CC1=CN2C=C(N=C2C=C1)C1=CC(NS(=O)(=O)C2=CC(=C(C)C(=C2)[N+]([O-])=O)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=RDNPYUKAJRWTFS-UHFFFAOYSA-N
Formula
C21H17N5O6S
Mass
467.46
Taxonomic Classification
Taxonomy Tree
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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
Phenylimidazoles P-toluenesulfonamides Sulfanilides Benzenesulfonamides Imidazo[1,2-a]pyridines Imidazopyridines Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Methylpyridines Organosulfonamides N-substituted imidazoles Aminosulfonyl compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dinitrotoluene - P-toluenesulfonamide - 4-phenylimidazole - 5-phenylimidazole - Benzenesulfonamide - Sulfanilide - Imidazo[1,2-a]pyridine - Benzenesulfonyl group - Imidazopyridine - Nitrobenzene - Nitroaromatic compound - Methylpyridine - Organosulfonic acid amide - Pyridine - N-substituted imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Imidazole - Aminosulfonyl compound - Sulfonyl - Azole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic 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