Compound Identification
SMILES
CCOC1=C(OC)C=C(C=C1Br)C1C2=C(OC(N)=C1C#N)C=C(O)C=C2
InChIKey
InChIKey=GBBWRGKLTRMWPP-UHFFFAOYSA-N
Formula
C19H17BrN2O4
Mass
417.259
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
1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Ketene acetal or derivatives - Nitrile - Carbonitrile - Oxacycle - Ether - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Cyanide - Hydrocarbon derivative - Organobromide - 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