Compound Identification
SMILES
CCS(=O)(=O)OC1=CC=C(CN(C(C)C)C(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=BPUFTJQTRNYJNH-UHFFFAOYSA-N
Formula
C19H22N2O6S
Mass
406.45
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
Benzamides Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Sulfonic acid esters Organosulfonic acid esters Tertiary carboxylic acid amides Sulfonyls Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Sulfonic acid ester - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic nitro compound - Carboxamide group - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - 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