Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavonoids

Alternative Parents

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

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