Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(S1)C=NNC(=O)CC1=CN=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=PEHUBGAQUCPBAA-UHFFFAOYSA-N

Formula

C13H12N4O3S

Mass

304.32

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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

Nitroaromatic compounds 2,3,5-trisubstituted thiophenes Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-nitrothiophene - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Pyridine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic zwitterion - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organonitrogen 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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