Compound Identification
SMILES
NC1=C(C#N)C(C2=CC(Br)=C(F)C=C2)C2=C(O1)OC1=CC=CC=C1C2=O
InChIKey
InChIKey=DZRWKRHYFAWAPJ-UHFFFAOYSA-N
Formula
C19H10BrFN2O3
Mass
413.202
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
Chromones Pyranones and derivatives Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous esters Heteroaromatic compounds Ketene acetals Oxacyclic compounds Nitriles Organic oxides Organobromides Organofluorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Chromone - 1-benzopyran - Benzopyran - Halobenzene - Bromobenzene - Pyranone - Fluorobenzene - Aryl fluoride - Aryl bromide - Benzenoid - Pyran - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organobromide - 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