Compound Identification
SMILES
CN1CCCC(C1)OC(=O)C1=CC2=C(OC1=O)C=CC(CCl)=C2
InChIKey
InChIKey=IEBIFFJTOVLWNM-UHFFFAOYSA-N
Formula
C17H18ClNO4
Mass
335.78
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 Piperidines Benzenoids Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Organooxygen compounds Alkyl chlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alkyl halide - Organooxygen compound - Organic nitrogen compound - Alkyl chloride - Organopnictogen 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