Compound Identification
SMILES
CCCCN(CC)C1=CC(C)=NC(NC2=C(Br)C=C(C=C2)C(C)C)=C1[N+]([O-])=O
InChIKey
InChIKey=NQRJJFZHSKFVMA-UHFFFAOYSA-N
Formula
C21H29BrN4O2
Mass
449.393
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Aminopyridines and derivatives Bromobenzenes Methylpyridines Aryl bromides Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organobromides Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - Phenylpropane - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Methylpyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic salt - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available