Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC=C1C(=O)NC1=NC(=CS1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=RMEQLDPTFGEVPR-UHFFFAOYSA-N

Formula

C19H11N3O5S

Mass

393.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - 1-benzopyran - Benzopyran - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2,4-disubstituted 1,3-thiazole - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Azole - C-nitro compound - Secondary carboxylic acid amide - Lactone - Organic nitro compound - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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