Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)OC2=C1C=CC(N\C=C(/C#N)C1=NC(=CS1)C1=CC=C(C=C1)[N+]([O-])=O)=C2

InChIKey

InChIKey=VNYGMLDUALIWDV-RVDMUPIBSA-N

Formula

C22H14N4O4S

Mass

430.44

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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 - Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Azacycle - Oxacycle - Enamine - Carbonitrile - Organic oxoazanium - Nitrile - Organic salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen 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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