Compound Identification
SMILES
COS([O-])(=O)=O.C[N+]1=CN(CCCNC2=C(Cl)C=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=OEDYFHRYKHQDQA-UHFFFAOYSA-M
Formula
C14H19ClN4O6S
Mass
406.84
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
Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines Chlorobenzenes Sulfuric acid monoesters Alkyl sulfates Aryl chlorides 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 Organochlorides Organic cations
Molecular Framework
Not available
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Aryl halide - N-substituted imidazole - Aryl chloride - Alkyl sulfate - Sulfuric acid monoester - Sulfuric acid ester - Sulfate-ester - Imidazole - Azole - Organic sulfuric acid or derivatives - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organic salt - Organochloride - Amine - Organonitrogen compound - 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