Structure Information
Structure

Compound Identification

SMILES

CN1NC(=O)C2=C1NC1=C(C2C2=CSC(=C2)[N+]([O-])=O)C(=O)C(C)(C)OC1

InChIKey

InChIKey=KCGQZVCLQFDYPY-UHFFFAOYSA-N

Formula

C16H16N4O5S

Mass

376.39

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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 Dihydropyranones Pyrazolones Vinylogous amides Pyrazoles Heteroaromatic compounds Ketones Lactams Azacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Enamines Organic oxoazanium compounds Oxacyclic compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-nitrothiophene - Nitroaromatic compound - Dihydropyranone - Pyran - Pyrazolinone - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Ketone - Lactam - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Dialkyl ether - Enamine - Ether - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - 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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