Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=C(NC(=O)CSC2=NN=C(N2C2=CC=CC=C2)C2=CC=CO2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=IZCMYSHBSDFVFU-UHFFFAOYSA-N

Formula

C21H17N5O5S

Mass

451.46

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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 - Phenyl-1,2,4-triazole - Phenyltriazole - Anilide - Methoxyaniline - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - N-arylamide - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Furan - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Ether - Organoheterocyclic compound - Thioether - Azacycle - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen 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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