Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(C)=C2C1C1=CC(Br)=CC(Br)=C1OC2=O
InChIKey
InChIKey=FWEOGHFKEYEQIT-UHFFFAOYSA-N
Formula
C17H15Br2NO4
Mass
457.118
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class 3,4-dihydrocoumarins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
3,4-dihydrocoumarins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
3,4-dihydrocoumarins
Alternative Parents
1-benzopyrans Dihydropyridines Aryl bromides Benzenoids Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Amino acids and derivatives Lactones Oxacyclic compounds Azacyclic compounds Dialkylamines Enamines Organic oxides Carbonyl compounds Organobromides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Dihydropyridine - Dicarboxylic acid or derivatives - Aryl bromide - Aryl halide - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Secondary aliphatic amine - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors
Not available