Compound Identification
SMILES
CC1=C(C)C=C2C(COC3=C(C=C(C=O)C=C3)[N+]([O-])=O)=CC(=O)OC2=C1
InChIKey
InChIKey=JDJRNDHMVGDMMF-UHFFFAOYSA-N
Formula
C19H15NO6
Mass
353.33
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
Nitrophenyl ethers Nitrobenzaldehydes 1-benzopyrans Phenoxy compounds Phenol ethers Benzaldehydes Benzoyl derivatives Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Nitrobenzaldehyde - Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzaldehyde - Phenol ether - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - Lactone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic oxygen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - 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