Compound Identification
SMILES
CC1=CC(C=C2SC(=O)N(CC3=CC=C(C=C3)[N+]([O-])=O)C2=O)=CC(C)=C1O
InChIKey
InChIKey=RGYGMGHCZLXUJC-UHFFFAOYSA-N
Formula
C19H16N2O5S
Mass
384.41
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
m-Xylenes Ortho cresols Nitroaromatic compounds Thiazolidinediones Dicarboximides Thiocarbamic acid derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - O-cresol - Xylene - M-xylene - Nitroaromatic compound - Thiazolidinedione - Phenol - Thiazolidine - Dicarboximide - Organic nitro compound - C-nitro compound - Thiocarbamic acid derivative - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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