Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(\C=C\C1=CC=C(C=C1)C#N)C(=O)O2
InChIKey
InChIKey=AQDOOHQLRXGJCC-MDZDMXLPSA-N
Formula
C22H20N2O2
Mass
344.414
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 Styrenes Dialkylarylamines Benzonitriles Pyranones and derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzonitrile - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Carbonitrile - Nitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Amine - Hydrocarbon derivative - 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