Compound Identification
SMILES
CC(C)(C)NCC(O)C1=CC(=C(N)C(Br)=C1)[N+]([O-])=O
InChIKey
InChIKey=WNHISWIZEMKFRF-UHFFFAOYSA-N
Formula
C12H18BrN3O3
Mass
332.198
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
2-bromoanilines Nitroaromatic compounds Aralkylamines Bromobenzenes Aryl bromides 1,2-aminoalcohols Secondary alcohols Organic oxoazanium compounds Dialkylamines Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Organobromides Hydrocarbon derivatives Primary amines Aromatic alcohols Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - 2-bromoaniline - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary alcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organic oxoazanium - Organic salt - Organonitrogen compound - Organobromide - Organooxygen compound - Organohalogen compound - Amine - Alcohol - Hydrocarbon derivative - Primary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic alcohol - 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