Compound Identification
SMILES
CC(=O)NC1=C(C#N)C(C2=CC=C(Br)C=C2)C2=C(O1)C1=CC=CC=C1C(Cl)=C2
InChIKey
InChIKey=SJZFJFLGBNBCRD-UHFFFAOYSA-N
Formula
C22H14BrClN2O2
Mass
453.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
Naphthopyrans Chloronaphthalenes 1-benzopyrans Bromobenzenes Pyrans Aryl chlorides Aryl bromides Acetamides Ketene acetals Secondary carboxylic acid amides Nitriles Oxacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Naphthopyran - Chloronaphthalene - Naphthalene - 1-benzopyran - Benzopyran - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Pyran - Benzenoid - Monocyclic benzene moiety - Acetamide - Ketene acetal or derivatives - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organobromide - Organopnictogen compound - Cyanide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available