Compound Identification
SMILES
CC1=CC=CC=C1NC(SCC1=CC(=CC=C1)[N+]([O-])=O)=C(C#N)C(N)=O
InChIKey
InChIKey=HKRWDOQEUVFQOB-UHFFFAOYSA-N
Formula
C18H16N4O3S
Mass
368.41
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 Toluenes 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 - Toluene - Vinylogous thioester - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Carboxylic acid derivative - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - 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