Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(NC(=O)CC2=NC(COC3=C(C=O)C=C(C=C3)[N+]([O-])=O)=CS2)C=C1

InChIKey

InChIKey=BKQBLZWEVKYNLG-UHFFFAOYSA-N

Formula

C20H17N3O5S

Mass

411.43

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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 - Nitrobenzaldehyde - Anilide - Phenoxy compound - Nitroaromatic compound - Benzaldehyde - Benzoyl - Phenol ether - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Toluene - Aryl-aldehyde - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Ether - Organic salt - Aldehyde - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - 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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