Compound Identification
SMILES
CCSC1=C(C#N)C(C(C(=O)OC)C(=O)N1)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=OWZPJQRAKBMHDO-UHFFFAOYSA-N
Formula
C16H15N3O5S
Mass
361.37
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 1,3-dicarbonyl compounds Methyl esters Ketene acetals Lactams Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Tetrahydropyridine - Hydropyridine - 1,3-dicarbonyl compound - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic nitrogen 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