Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC2=C(OC(=O)C(=C2)C2=CN=C(NNC=C3C=CC=CC3=O)S2)C=C1

InChIKey

InChIKey=ZLJXANHPARDJOB-UHFFFAOYSA-N

Formula

C19H12N4O5S

Mass

408.39

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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 - Benzopyran - 1-benzopyran - Nitroaromatic compound - O-quinomethane - Quinomethane - 2,5-disubstituted 1,3-thiazole - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Ketone - Lactone - C-nitro compound - Organic nitro compound - Cyclic ketone - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Hydrazine derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic zwitterion - Organooxygen compound - Organic oxygen compound - 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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