Compound Identification
SMILES
CCC1=CC=C(NC(SCC2=CC(=CC=C2)[N+]([O-])=O)=C(C#N)C(N)=O)C=C1
InChIKey
InChIKey=LFVVYIXVBQQAIG-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
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 - 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