Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)NCCN1C(=O)CCC1=O)C(=O)O2
InChIKey
InChIKey=XXTOMVWJZMWKHR-UHFFFAOYSA-N
Formula
C20H23N3O5
Mass
385.42
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 Dialkylarylamines Pyranones and derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Benzenoids Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Amino acids and derivatives Lactones Lactams Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Carboxylic acid imide, n-substituted - Pyran - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Pyrrolidine - Carboxylic acid imide - Dicarboximide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactone - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxide - 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