Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1C2=C(OC(N)=C1C#N)C1=CC=CC=C1C(Cl)=C2
InChIKey
InChIKey=OHGHVDCKTOIEGW-UHFFFAOYSA-N
Formula
C21H14BrClN2O3
Mass
457.71
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 Methoxyphenols Phenoxy compounds Anisoles Methoxybenzenes O-bromophenols Alkyl aryl ethers Bromobenzenes Pyrans Aryl chlorides Aryl bromides Ketene acetals Oxacyclic compounds Nitriles Organochlorides Hydrocarbon derivatives Organopnictogen compounds Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Naphthopyran - Chloronaphthalene - Naphthalene - Methoxyphenol - 1-benzopyran - Benzopyran - Phenoxy compound - Anisole - 2-bromophenol - 2-halophenol - Phenol ether - Methoxybenzene - Phenol - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl bromide - Pyran - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Ketene acetal or derivatives - Oxacycle - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Organopnictogen compound - Cyanide - 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