Compound Identification
SMILES
O[C@H]1[C@@H](CCC2=C1C=CC(OCC1=CC=CC=C1)=C2[N+]([O-])=O)NC1CCC1
InChIKey
InChIKey=ZYMFIBNGZIXIJP-WIYYLYMNSA-N
Formula
C21H24N2O4
Mass
368.433
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Nitronaphthalenes
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Nitronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitronaphthalenes
Alternative Parents
Tetralins Phenol ethers Nitroaromatic compounds Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-nitronaphthalene - Tetralin - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary alcohol - Secondary aliphatic amine - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Organic nitrogen compound - Organic zwitterion - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
External Descriptors
Not available