Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)NC2=CC3=C(OC2=O)C=CC(=C3)[N+]([O-])=O)C(=NO1)C1=C(F)C=CC=C1Cl

InChIKey

InChIKey=LJGCPQDGWLUHLN-UHFFFAOYSA-N

Formula

C20H11ClFN3O6

Mass

443.77

Export to:

JSON SDF CSV

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 - 1-benzopyran - Benzopyran - Nitroaromatic compound - Halobenzene - Fluorobenzene - Chlorobenzene - Pyranone - Aryl chloride - Aryl fluoride - Aryl halide - Pyran - Benzenoid - Monocyclic benzene moiety - Isoxazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Lactone - Organic nitro compound - Azacycle - Oxacycle - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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

Previous Back Next