Compound Identification
SMILES
CC1=C2OC(=O)C(=CC2=CC(I)=C1)C(=O)NCC1=CN=CC=C1
InChIKey
InChIKey=NFCUCFZTBNONGW-UHFFFAOYSA-N
Formula
C17H13IN2O3
Mass
420.206
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 Pyridines and derivatives Aryl iodides Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organoiodides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Aryl halide - Aryl iodide - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - 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