Compound Identification
SMILES
CC1=C(C#N)C(=O)N=C(N1)SCC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=CBKSYEOZFJUADD-UHFFFAOYSA-N
Formula
C13H10N4O3S
Mass
302.31
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 Alkylarylthioethers Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic oxides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Pyrimidone - Alkylarylthioether - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic salt - Organosulfur compound - Organic cation - 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