Compound Identification
SMILES
COC1=CC=C(NC2=C(C=O)C(=O)OC3=CC=CC=C23)C=C1
InChIKey
InChIKey=XQCZKYLWUGAVPU-UHFFFAOYSA-N
Formula
C17H13NO4
Mass
295.294
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 Aminophenyl ethers Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyranones and derivatives Aryl-aldehydes Primary aromatic amines Heteroaromatic compounds Vinylogous amides Lactones Oxacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Methoxyaniline - Aminophenyl ether - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Anisole - Pyranone - Alkyl aryl ether - Aryl-aldehyde - Primary aromatic amine - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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