Compound Identification
SMILES
[Cl-].O=C(NCC[NH+]1CCCCC1)c1cc2ccccc2oc1=O
InChIKey
InChIKey=QSBWTPDYBYKYOX-UHFFFAOYSA-N
Formula
C17H21ClN2O3
Mass
336.82
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 Pyranones and derivatives Benzenoids Piperidines Heteroaromatic compounds Quaternary ammonium salts Lactones Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Lactone - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic zwitterion - Organic chloride salt - Organic salt - 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