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Structure Information
Structure

Compound Identification

SMILES

BrC1=CC(C=NNC(=O)C2=CC3=C(OCO3)C=C2)=C(OCC#C)C=C1

InChIKey

InChIKey=VBVQFOMUWIFEMO-UHFFFAOYSA-N

Formula

C18H13BrN2O4

Mass

401.216

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodioxoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodioxole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acetal - Acetylide - Oxacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

External Descriptors

Not available

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