Compound Identification
SMILES
CNC1=C(NC(=O)NC2=CC=CC=C2OC)C(=O)OC2=CC=CC=C12
InChIKey
InChIKey=GCMDSOQVQOUFQI-UHFFFAOYSA-N
Formula
C18H17N3O4
Mass
339.351
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
1-benzopyrans N-phenylureas Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Secondary alkylarylamines Alkyl aryl ethers Pyranones and derivatives Heteroaromatic compounds Vinylogous amides Ureas Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - N-phenylurea - 1-benzopyran - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - Secondary aliphatic/aromatic amine - Pyran - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Urea - Lactone - Oxacycle - Secondary amine - Organoheterocyclic compound - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - 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