Compound Identification
SMILES
OCCCNCCN(CC1=CC=CC=C1)CC1=CC=CC(CN(CC2=CC=CC=C2)CC2=CC(=CC=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=ULPFFFJBCJZJEO-UHFFFAOYSA-N
Formula
C33H39N5O3
Mass
553.707
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
6-substituted-2-pyridinylmethylamines Benzylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines Heteroaromatic compounds 1,3-aminoalcohols Trialkylamines Organic oxoazanium compounds Dialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
6-substituted-2-pyridinylmethylamine - Nitrobenzene - 2-pyridylmethylamine - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - Pyridine - 1,3-aminoalcohol - Heteroaromatic compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Alkanolamine - Organic 1,3-dipolar compound - Secondary amine - Azacycle - Secondary aliphatic amine - Organic oxoazanium - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Alcohol - Organic salt - Organic zwitterion - Aromatic heteromonocyclic 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