Compound Identification
SMILES
[O-]S([O-])(=O)=O.NC1=CC(=C(N)C=C1)[N+]([O-])=O
InChIKey
InChIKey=XRALJHVEDJNLBL-UHFFFAOYSA-L
Formula
C6H7N3O6S
Mass
249.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Nitroaromatic compounds Aniline and substituted anilines Organic sulfate salts Organic sulfuric acids and derivatives Organic oxoazanium compounds Primary amines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Organic sulfate salt - Organic sulfuric acid or derivatives - C-nitro compound - Organic nitro compound - Organic oxoazanium - Amine - Organic nitrogen compound - Organic salt - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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