Compound Identification
SMILES
CC1=C(C)C=C(NC(SCC2=CC(=CC=C2)[N+]([O-])=O)=C(C#N)C(N)=O)C=C1
InChIKey
InChIKey=LRLKUSOIOCHGLO-UHFFFAOYSA-N
Formula
C19H18N4O3S
Mass
382.44
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-Xylenes Nitroaromatic compounds Vinylogous thioesters Vinylogous amides Primary carboxylic acid amides Ketene acetals Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Xylene - O-xylene - Vinylogous thioester - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Carbonitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Nitrile - Sulfenyl compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Cyanide - Carbonyl group - Hydrocarbon derivative - 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