Compound Identification
SMILES
CC(=NO)C1=CC2=C(OC1=O)C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=WVZLURDRTWPBOB-UHFFFAOYSA-N
Formula
C11H8N2O5
Mass
248.194
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 Nitroaromatic compounds Pyranones and derivatives Benzenoids Heteroaromatic compounds Ketoximes Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic zwitterions Organooxygen compounds Hydrocarbon derivatives Organic salts Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Pyranone - Pyran - Benzenoid - Ketoxime - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Organopnictogen compound - Organic oxide - 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