Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OC(=O)C(=C2)C2=CSC(=N2)C(=CNC2=CC=C(F)C=C2)C#N)C=C1
InChIKey
InChIKey=NXDLKDKVJIYQQX-UHFFFAOYSA-N
Formula
C21H11FN4O4S
Mass
434.4
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 Aniline and substituted anilines Nitroaromatic compounds Pyranones and derivatives 2,4-disubstituted thiazoles Fluorobenzenes Aryl fluorides Heteroaromatic compounds Lactones Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Enamines Nitriles Organic oxoazanium compounds Organofluorides Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Organic salts Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Pyranone - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Pyran - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - Lactone - C-nitro compound - Azacycle - Oxacycle - Organoheterocyclic compound - Enamine - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Cyanide - Organic salt - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Amine - Organopnictogen 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