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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
1-benzopyrans Nitroaromatic compounds Pyranones and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
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