Compound Identification
SMILES
CC(=O)NC1=NC(=O)C(S1)=CC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QIQKNAUZGZZOBO-UHFFFAOYSA-N
Formula
C12H9N3O4S
Mass
291.28
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
Nitroaromatic compounds Thiazolines Acetamides N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Meta-thiazoline - Acetamide - Isothiourea - C-nitro compound - N-acylimine - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Carbonyl group - Organic salt - Organonitrogen compound - 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