Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC2=C(OC(=O)C(=C2)C2=CSC(=N2)C(=CNC2=CC=C(F)C=C2)C#N)C=C1

InChIKey

InChIKey=NXDLKDKVJIYQQX-UHFFFAOYSA-N

Formula

C21H11FN4O4S

Mass

434.4

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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 - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Pyranone - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Pyran - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - Lactone - C-nitro compound - Azacycle - Oxacycle - Organoheterocyclic compound - Enamine - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Cyanide - Organic salt - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Amine - Organopnictogen 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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