Compound Identification
SMILES
OCC1=C(CNCCC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZLUQDYJYBGNECH-UHFFFAOYSA-N
Formula
C16H18N2O3
Mass
286.331
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Phenethylamines Phenylmethylamines Nitroaromatic compounds Benzylamines Benzyl alcohols Aralkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Phenethylamine - Benzyl alcohol - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Alcohol - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic alcohol - Organic oxide - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - 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