Structure Information
Structure

Compound Identification

SMILES

Cl.CN(CC1=CC=CC=C1)[C@@H]1CCC2=C(C=CC(OCC3=CC=CC=C3)=C2[N+]([O-])=O)[C@H]1O

InChIKey

InChIKey=HNOCZPLVPGUEGD-DYNCTKRQSA-N

Formula

C25H27ClN2O4

Mass

454.95

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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

Tetralins Phenylmethylamines Phenol ethers Benzylamines Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Trialkylamines Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Hydrochlorides

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

1-nitronaphthalene - Tetralin - Nitroaromatic compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Organic zwitterion - Hydrochloride - 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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