Compound Identification
SMILES
[O-][N+](=O)C1=CC(=C(NN=CC(CSC(=O)C2=CC=CC=C2)C2=CC=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=KKTQMQBZWRWOPJ-UHFFFAOYSA-N
Formula
C22H18N4O5S
Mass
450.47
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
Thiobenzoic acids and derivatives Benzoic acids and derivatives Benzoyl derivatives Phenylhydrazines Nitroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Hydrazones Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organooxygen compounds Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Thiobenzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Phenylhydrazine - C-nitro compound - Thiocarboxylic acid ester - Organic nitro compound - Carbothioic s-ester - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thiocarboxylic acid or derivatives - Hydrazone - Organic oxoazanium - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic salt - 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