Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(S1)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2)[N+]([O-])=O

InChIKey

InChIKey=RMIWVMLKJYKCRR-ZDUSSCGKSA-N

Formula

C15H13N3O4S

Mass

331.35

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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

2,3,5-trisubstituted thiophenes Nitroaromatic compounds 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

3-nitrothiophene - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Cyclohexenone - 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 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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