Compound Identification
SMILES
[Cl-].BrC1=CC=CC(OC(=O)C2=CC3=C(OC2=O)C=CC(C[N+]24CN5CN(CN(C5)C2)C4)=C3)=C1
InChIKey
InChIKey=SESANTVQZIDTQW-UHFFFAOYSA-M
Formula
C23H22BrClN4O4
Mass
533.81
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
Phenol esters 1-benzopyrans Phenoxy compounds Pyranones and derivatives Bromobenzenes 1,3,5-triazinanes Aryl bromides Tetraalkylammonium salts Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Aminals Azacyclic compounds Organic zwitterions Organooxygen compounds Organobromides Amines Organic oxides Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenol ester - Benzopyran - 1-benzopyran - Phenoxy compound - Pyranone - Bromobenzene - Halobenzene - 1,3,5-triazinane - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Triazinane - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid ester - Lactone - Aminal - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic salt - Organic oxygen compound - Organic chloride salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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