Compound Identification
SMILES
CC1=CC=C(C=C1)N=C(NO)C1=CC(=O)OC2=CC=CC=C12
InChIKey
InChIKey=QGWUMYFZHKRKFO-UHFFFAOYSA-N
Formula
C17H14N2O3
Mass
294.31
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 Toluenes Pyranones and derivatives Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Amidines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Amidine - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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