Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C2C(N(CCC2=C1)C(=O)COC1=CC=CC=C1[N+]([O-])=O)C1=CC=CS1

InChIKey

InChIKey=KNDIHBJAOHBWDH-UHFFFAOYSA-N

Formula

C23H22N2O6S

Mass

454.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrophenyl ethers

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitrophenyl ether - Tetrahydroisoquinoline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.

External Descriptors

Not available

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