Compound Identification
SMILES
CN1C(C=NNC2=C(C=C(C=C2)S(C)(=O)=O)[N+]([O-])=O)=CN=C1[N+]([O-])=O
InChIKey
InChIKey=ULPBSCQSNZOMCY-UHFFFAOYSA-N
Formula
C12H12N6O6S
Mass
368.32
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
Benzenesulfonyl compounds Phenylhydrazines Nitroaromatic compounds 1,2,5-trisubstituted imidazoles N-substituted imidazoles Sulfones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - Nitrobenzene - 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Phenylhydrazine - Trisubstituted imidazole - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Hydrazone - 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 nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic 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