Compound Identification
SMILES
CCSC1=C(C#N)C(CC(=O)N1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=LSTOEXRFQJJFRK-UHFFFAOYSA-N
Formula
C14H13N3O3S
Mass
303.34
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 Tetrahydropyridines Secondary carboxylic acid amides Lactams Ketene acetals Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Tetrahydropyridine - Hydropyridine - Carboxamide group - Ketene acetal or derivatives - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Carbonitrile - Nitrile - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Cyanide - Carbonyl group - 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