Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1CSC1=NC2=C(S1)C=C(NC(=O)CC1=CC(=C(O)C=C1)[N+]([O-])=O)C=C2

InChIKey

InChIKey=PCXRGDGJYVSGEF-UHFFFAOYSA-N

Formula

C23H19N3O5S2

Mass

481.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Nitrophenols

Intermediate Tree Nodes

Not available

Direct Parent

Nitrophenols

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylacetamide - Nitrophenol - Nitrobenzene - 1,3-benzothiazole - N-arylamide - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Anisole - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Thioether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organoheterocyclic compound - Ether - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic salt - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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