Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1C1=NN=C(O1)SCC(=O)NN(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=YCUNEPXBQPSFJD-UHFFFAOYSA-N
Formula
C22H17N5O4S
Mass
447.47
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
Phenylhydrazines Nitroaromatic compounds Alkylarylthioethers 1,3,4-oxadiazoles Heteroaromatic compounds Carboxylic acid hydrazides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Phenylhydrazine - Alkylarylthioether - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic salt - 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