Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C2C=C(C3=CSC(=N3)C3=CC4=CC=CC=C4OC3=O)C(=O)OC2=C1)[N+]([O-])=O

InChIKey

InChIKey=NQBUBCJNSJEBSY-UHFFFAOYSA-N

Formula

C21H10N2O7S

Mass

434.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

7-hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7-hydroxycoumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - C-nitro compound - Organic nitro compound - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.

External Descriptors

Not available

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