Compound Identification
SMILES
CSC1=[N+](C(C2=C(SCCCCCO)C(=CC=C2)[N+]([O-])=O)C(C(O)=O)=C(C)N1)C(=O)OC(C)(C)C
InChIKey
InChIKey=ZQWNTYLFEXPFHS-UHFFFAOYSA-O
Formula
C23H32N3O7S2
Mass
526.64
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
Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Hydropyrimidines Vinylogous amides Sulfenyl compounds Azacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Primary alcohols Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Hydropyrimidine - Vinylogous amide - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Carboximidamide - Monocarboxylic acid or derivatives - Thioether - Organic oxoazanium - Organic salt - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic oxygen compound - Alcohol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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