Compound Identification
SMILES
OC1=CC=C(NC2=NC(=O)C(S2)=CC2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=GXGCBMULWZUZBM-UHFFFAOYSA-N
Formula
C16H11N3O4S
Mass
341.34
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
p-Aminophenols Aniline and substituted anilines Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Thiazolines N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Amines Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aminophenol - P-aminophenol - Nitroaromatic compound - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Meta-thiazoline - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic 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 nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic salt - Organic zwitterion - Amine - Organic oxygen compound - Organic oxide - 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