Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(COC2=CC3=C(C=C2)C2=CC=CC=C2C(=O)O3)C=C1
InChIKey
InChIKey=KSYFJMYHWWKFLY-UHFFFAOYSA-N
Formula
C20H13NO5
Mass
347.326
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
Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Nitrobenzenes Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Isocoumarin - Benzopyran - 1-benzopyran - 2-benzopyran - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic oxoazanium - Oxacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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