Compound Identification
SMILES
Cl.CC(C)(C)NCC(O)C1=CC(=C(N)C(Cl)=C1)[N+]([O-])=O
InChIKey
InChIKey=QZXLIBQJXSRDAK-UHFFFAOYSA-N
Formula
C12H19Cl2N3O3
Mass
324.2
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
Aniline and substituted anilines Nitroaromatic compounds Aralkylamines Chlorobenzenes Aryl chlorides Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides Organic oxides Aromatic alcohols Organic zwitterions Organochlorides Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Organic nitro compound - 1,2-aminoalcohol - C-nitro compound - Secondary alcohol - Secondary aliphatic amine - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic salt - Primary amine - Hydrochloride - Aromatic alcohol - Organic zwitterion - Amine - 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