Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=SDZMJHOHKUJYSH-UHFFFAOYSA-N

Formula

C21H10Cl2N4O4S

Mass

485.3

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