Compound Identification
SMILES
CC1=C(C=CC=C1Cl)N=C1SC(CC(=O)NC2=CC(=CC=C2)[N+]([O-])=O)C(=O)N1CC=C
InChIKey
InChIKey=RTDFDRIPUPZVIN-UHFFFAOYSA-N
Formula
C21H19ClN4O4S
Mass
458.92
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
Anilides Nitroaromatic compounds N-arylamides Toluenes Chlorobenzenes Aryl chlorides Thiazolidines Secondary carboxylic acid amides Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Thiazolidine - Carboxamide group - Isothiourea - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Carbonyl group - Organohalogen compound - Organochloride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic salt - Organic zwitterion - Organooxygen 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