Structure Information
Structure

Compound Identification

SMILES

NC(=O)[C@@H]1[C@H](SC2=C1CCCC2)[NH+]=CC1=CC(=C(O)C=C1)[N+]([O-])=O

InChIKey

InChIKey=KOVLWMKSLDDAAI-ZBFHGGJFSA-O

Formula

C16H18N3O4S

Mass

348.4

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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

Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - 2,3-dihydrothiophene - Carboxamide group - C-nitro compound - Organic nitro compound - Primary carboxylic acid amide - Thioenolether - Shiff base - Aldimine - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Primary aldimine - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - 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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