Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C=C1)[C@@H]1SCCN1C(=O)C1=CC2=CC=CC=C2OC1=O)[N+]([O-])=O

InChIKey

InChIKey=YNLBDXBHNVKRFK-IBGZPJMESA-N

Formula

C20H16N2O6S

Mass

412.42

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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 - Nitrophenyl ether - Benzopyran - 1-benzopyran - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Organic nitro compound - Carboxamide group - Lactone - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Dialkylthioether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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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