Compound Identification
SMILES
NC1=C(C#N)[C@H](C2=CC=CC=C2Br)C2=C(O1)C=CC1=CC=CC=C21
InChIKey
InChIKey=GZDATYBWAHLJHM-SFHVURJKSA-N
Formula
C20H13BrN2O
Mass
377.241
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 Naphthalenes 1-benzopyrans Bromobenzenes Pyrans Aryl bromides Ketene acetals Oxacyclic compounds Nitriles Organobromides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Naphthopyran - Benzopyran - Naphthalene - 1-benzopyran - Bromobenzene - Halobenzene - Pyran - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ketene acetal or derivatives - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organooxygen compound - Organic oxygen compound - Cyanide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen 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