Structure Information
Structure

Compound Identification

SMILES

O=C1C=CN(N=C1C1=CC=NN1C1=CC2=C(OCCO2)C=C1)C1=CC(=NC=C1)C#N

InChIKey

InChIKey=XYHUHGOPMVQNSD-UHFFFAOYSA-N

Formula

C21H14N6O3

Mass

398.382

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxanes

Subclass

Benzo-1,4-dioxanes

Intermediate Tree Nodes

Not available

Direct Parent

Benzo-1,4-dioxanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,4-dioxane - Alkyl aryl ether - Para-dioxin - Pyridazine - Pyridine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Nitrile - Carbonitrile - Ether - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.

External Descriptors

Not available

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