Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC=C(C=C1)N=NC1=C(C(=O)OC)C(=CS1)[N+]([O-])=O

InChIKey

InChIKey=XCWUJUKZJKGQBF-UHFFFAOYSA-N

Formula

C16H18N4O4S

Mass

362.4

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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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-nitrothiophene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Azo compound - Carboxylic acid ester - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic zwitterion - Organic salt - 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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