Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C1=CC=C(S1)[N+]([O-])=O

InChIKey

InChIKey=NPIYJAMJTRVSRS-UHFFFAOYSA-N

Formula

C16H15N3O4S

Mass

345.37

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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 Organic oxoazanium compounds Nitriles Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Aldehydes Organopnictogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-nitrothiophene - Nitroaromatic compound - 2,5-disubstituted thiophene - Cyclohexenone - Pyran - Vinylogous ester - Heteroaromatic compound - 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 - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Aldehyde - Organic salt - Hydrocarbon derivative - 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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