Compound Identification
SMILES
CN1C=CS\C1=N/C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O
InChIKey
InChIKey=QDGQQSBFPBSHJZ-SEYXRHQNSA-N
Formula
C12H11N3O5S2
Mass
341.36
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
Benzenesulfonyl compounds Benzoic acids and derivatives Benzoyl derivatives Nitroaromatic compounds Thiazoles Sulfones Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Azole - Heteroaromatic compound - Sulfone - Sulfonyl - Thiazole - Isothiourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - 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