Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(C(=O)NN1CCN(C)CC1)C(=O)O2
InChIKey
InChIKey=XOOKBCKRRUNZCW-UHFFFAOYSA-N
Formula
C16H19N3O4
Mass
317.345
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 Anisoles Pyranones and derivatives N-methylpiperazines Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Lactones Carboxylic acid hydrazides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - N-methylpiperazine - N-alkylpiperazine - Pyran - Piperazine - Benzenoid - 1,4-diazinane - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactone - Carboxylic acid hydrazide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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