Compound Identification
SMILES
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)C1=CC=C(C=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=IHDJAOSOHWMBRL-UHFFFAOYSA-N
Formula
C19H23N5O10S2
Mass
545.54
Taxonomic Classification
Taxonomy Tree
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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
Aniline and substituted anilines Dialkylarylamines Phenylhydrazines Nitroaromatic compounds Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrazones Organic oxides Organooxygen compounds Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Tertiary aliphatic/aromatic amine - Phenylhydrazine - Dialkylarylamine - Aniline or substituted anilines - Nitroaromatic compound - Organosulfonic acid ester - Sulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Sulfonyl - Tertiary amine - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Amine - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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