Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)OC2=C1C=CC(OC1=C(C=C(C=C1)S(=O)(=O)N1CCCCC1)[N+]([O-])=O)=C2

InChIKey

InChIKey=NNQNPHXIHVNWOQ-UHFFFAOYSA-N

Formula

C21H20N2O7S

Mass

444.46

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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 - Diaryl ether - 1-benzopyran - Benzenesulfonamide - Benzopyran - Benzenesulfonyl group - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Pyranone - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Pyran - Piperidine - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Lactone - C-nitro compound - Organic nitro compound - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen 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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