Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)C1NNC2OC(N)=C(C#N)C(C12)C1=CC(Br)=CC(Br)=C1OC

InChIKey

InChIKey=XTDAGGVISKJVCP-UHFFFAOYSA-N

Formula

C21H20Br2N4O3

Mass

536.224

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrazolidine - Ketene acetal or derivatives - Alkylhydrazine - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Hydrazine derivative - Organic oxygen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

External Descriptors

Not available

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