Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CC(=C1)C(=O)SCCCC1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=NBRJXERLFISWSQ-UHFFFAOYSA-N
Formula
C16H14N2O5S
Mass
346.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Thiobenzoic acids and derivatives Benzoic acids and derivatives Nitroaromatic compounds Benzoyl derivatives Thioesters Carbothioic S-esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Thiobenzoic acid or derivatives - Nitroaromatic compound - Benzoyl - C-nitro compound - Thiocarboxylic acid ester - Carbothioic s-ester - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - 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