Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)[C@H](C2=CC=C(S2)[N+]([O-])=O)C2=C(CCCC2=O)O1

InChIKey

InChIKey=IPJWTSJMWTZDFW-GFCCVEGCSA-N

Formula

C14H11N3O4S

Mass

317.32

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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

2-nitrothiophenes

Alternative Parents

Nitroaromatic compounds 2,5-disubstituted thiophenes Cyclohexenones Pyrans Vinylogous esters Heteroaromatic compounds Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Organic oxoazanium compounds Organic zwitterions Monoalkylamines Organopnictogen compounds Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-nitrothiophene - Nitroaromatic compound - Cyclohexenone - 2,5-disubstituted thiophene - Pyran - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Ketone - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.

External Descriptors

Not available

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