Compound Identification
SMILES
CC1=CC=CC2=C1N=C(C)C1=C2OC(=N1)C1=CC2=C(OC1=O)C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=RYDZYVMOLRUURS-UHFFFAOYSA-N
Formula
C21H13N3O5
Mass
387.351
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
Quinolines and derivatives 1-benzopyrans Oxazolopyridines Nitroaromatic compounds Pyranones and derivatives Methylpyridines Benzenoids Oxazoles Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Quinoline - 1-benzopyran - 1,3-oxazolopyridine - Nitroaromatic compound - Methylpyridine - Pyranone - Pyran - Pyridine - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Lactone - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Oxacycle - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic salt - 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