Compound Identification
SMILES
CCCC(=O)C1=CC2=C(OC1=O)C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=NXAVBNHRVBMRBT-UHFFFAOYSA-N
Formula
C13H11NO5
Mass
261.233
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 Aryl alkyl ketones Nitroaromatic compounds Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Aldehydes Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Ketone - 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 - Organooxygen compound - Organonitrogen compound - Aldehyde - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organopnictogen compound - 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