Compound Identification
SMILES
CCN1C(CNC(=O)C2=CC=CC=C2C)=NN=C1SCC(=O)NC1=C(Cl)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=LKQHIENFGDLPAZ-UHFFFAOYSA-N
Formula
C21H21ClN6O4S
Mass
488.95
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
o-Toluamides Anilides Benzamides Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Alkylarylthioethers Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - O-toluamide - Toluamide - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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