Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCCN(CCOC(C)=O)C1=CC=C(C=C1)N=NC1=C(C=C(S1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=YPNBSXJSFUWYMV-UHFFFAOYSA-N

Formula

C18H19N5O8S

Mass

465.44

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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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-nitrothiophene - 2-nitrothiophene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - 2,3,5-trisubstituted thiophene - Tertiary aliphatic/aromatic amine - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - Tertiary amine - C-nitro compound - Carboxylic acid ester - Azo compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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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