Compound Identification
SMILES
CCCCS(=O)(=O)C1=C(C=C(C(=O)N=C(N)N)C(C)=C1)[N+]([O-])=O
InChIKey
InChIKey=XKNACMKPUGMXRT-UHFFFAOYSA-N
Formula
C13H18N4O5S
Mass
342.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
o-Toluamides Benzenesulfonyl compounds Benzoic acids and derivatives Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Acylguanidines Sulfones Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids and derivatives Organic oxoazanium compounds Organooxygen compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzenesulfonyl group - O-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Acylguanidine - Toluene - Sulfone - Sulfonyl - Guanidine - C-nitro compound - Organic nitro compound - Carboximidamide - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available