Compound Identification
SMILES
COC1=CC2=C(OC(=O)C3=C2C=CC(=C3)[N+]([O-])=O)C=C1
InChIKey
InChIKey=IISMAKSLLQEKLC-UHFFFAOYSA-N
Formula
C14H9NO5
Mass
271.228
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 Anisoles Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Isocoumarin - Benzopyran - 1-benzopyran - 2-benzopyran - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Oxacycle - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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