Compound Identification
SMILES
CCCCN1CSC(=S)N(C1)[C@H](CO)C(O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=SWFQHAVJDXRNPL-GICMACPYSA-N
Formula
C16H23N3O4S2
Mass
385.5
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
Nitroaromatic compounds Thiadiazinanes Cyclic dithiocarbamic acid esters Secondary alcohols Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aromatic alcohols Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Thiadiazinane - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - C-nitro compound - Secondary alcohol - Organic nitro compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Hemithioaminal - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alcohol - Organic zwitterion - Aromatic alcohol - Organic salt - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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