Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Nitronaphthalenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitronaphthalenes

Alternative Parents

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

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