Compound Identification
SMILES
COC1=C(OC)C2=C(C=CC(=O)O2)C(CO[N+]([O-])=O)=C1
InChIKey
InChIKey=PQNXBFWRNBSQNA-UHFFFAOYSA-N
Formula
C12H11NO7
Mass
281.22
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 Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Alkyl nitrates Organic nitro compounds Organic nitric acids and derivatives Lactones Oxacyclic compounds Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Organic nitrate - Alkyl nitrate - Lactone - Organic nitric acid or derivatives - Organic nitro compound - Organoheterocyclic compound - Oxacycle - Ether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen 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