Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1OCC(=O)NN=CC1=CC(=CS1)[N+]([O-])=O

InChIKey

InChIKey=JBTFWWYXBCVVOB-UHFFFAOYSA-N

Formula

C14H13N3O4S

Mass

319.34

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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 Toluenes Alkyl aryl ethers Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-nitrothiophene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - 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 - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Carbonyl group - 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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