Compound Identification
SMILES
Cl.O[C@H]1[C@@H](CCC2=C1C=CC(OCC1=CC=CC=C1)=C2[N+]([O-])=O)NC1CCC1
InChIKey
InChIKey=PBEDXPQDVGHFRP-IUFJOMBNSA-N
Formula
C21H25ClN2O4
Mass
404.89
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 oxides Hydrochlorides 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 - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Hydrochloride - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic salt - Amine - Organic oxide - Organic zwitterion - Organic nitrogen compound - 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