Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC(OCC)=C(Br)C=C1C=NNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+]([O-])=O

InChIKey

InChIKey=UDVMOSVCGUCNIO-UHFFFAOYSA-N

Formula

C20H18BrN3O5S

Mass

492.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiophenes

Subclass

1-benzothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiophenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.

External Descriptors

Not available

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