Compound Identification
SMILES
COS([O-])(=O)=O.CC1=C(C=CC(NCCCN2C=C[N+](C)=C2)=C1)[N+]([O-])=O
InChIKey
InChIKey=QFELJXTYXVHQFY-UHFFFAOYSA-M
Formula
C15H22N4O6S
Mass
386.42
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
Nitrotoluenes Phenylalkylamines Aminotoluenes Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines Sulfuric acid monoesters Alkyl sulfates N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Not available
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Toluene - Secondary aliphatic/aromatic amine - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - N-substituted imidazole - Imidazole - Azole - Heteroaromatic compound - Organic sulfuric acid or derivatives - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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