Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)OC2=C(C(O)=C(C=C12)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=HMGOVPRIOHFNEQ-UHFFFAOYSA-N

Formula

C10H5N3O9

Mass

311.162

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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 - Phenol - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic cation - 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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