Structure Information
Structure

Compound Identification

SMILES

CCN1C(=O)\C(SC1=NC1=CC=C(C=C1)C(O)=O)=C\C1=CC(=CC(OC)=C1O)[N+]([O-])=O

InChIKey

InChIKey=UKGKYFDGPQHKFE-ZWFGZEFLSA-N

Formula

C20H17N3O7S

Mass

443.43

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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 heteromonocyclic compounds

Substituents

Nitrophenyl ether - Methoxyphenol - Nitrophenol - Benzoic acid or derivatives - Benzoic acid - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Phenol - Thiazolidine - Isothiourea - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Ether - Azacycle - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Organooxygen compound - Aromatic heteromonocyclic 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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