Structure Information
Structure

Compound Identification

SMILES

CC(OC1=CC=C(Br)C=C1)C(=O)NN=CC1=CC(=CS1)[N+]([O-])=O

InChIKey

InChIKey=AGUYVVMKAGIBDP-UHFFFAOYSA-N

Formula

C14H12BrN3O4S

Mass

398.23

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiophenes

Subclass

Nitrothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

3-nitrothiophenes

Alternative Parents

Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organobromides Organonitrogen compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-nitrothiophene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 3-position.

External Descriptors

Not available

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