Structure Information
Structure

Compound Identification

SMILES

CC1C2(OC(=N)C1(C#N)C(C#N)(C#N)C(O2)C1=CC2=C(OCO2)C=C1[N+]([O-])=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=XOEDVSRYQOGTGW-UHFFFAOYSA-N

Formula

C23H14BrN5O6

Mass

536.298

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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 - Nitroaromatic compound - 1,3-dioxepane - Ketal - Bromobenzene - Dioxepane - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Oxolane - Organic nitro compound - Imido ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Acetal - Carbonitrile - Nitrile - Organic oxoazanium - Organic 1,3-dipolar compound - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic cation - 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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