Compound Identification
SMILES
CC1=CC(=CC=C1)N1CC(O)(C2=CC(=CC=C2)[N+]([O-])=O)[N+]2=C1CCCCC2
InChIKey
InChIKey=YJFMICBGVZRDBE-UHFFFAOYSA-N
Formula
C21H24N3O3
Mass
366.44
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
Nitroaromatic compounds Aniline and substituted anilines Toluenes Azepines Imidazolines Organic oxoazanium compounds Carboxamidines Azacyclic compounds Alkanolamines Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Azepine - Toluene - 2-imidazoline - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Amidine - Carboxylic acid amidine - Alkanolamine - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Amine - Organic cation - Aromatic heteropolycyclic 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