Structure Information
Structure

Compound Identification

SMILES

CC1=CC(O)=CC([O-])=C1[N+](C)=NC1=NC=C(S1)[N+]([O-])=O

InChIKey

InChIKey=BTINVZRGMIVKQO-UHFFFAOYSA-N

Formula

C11H10N4O4S

Mass

294.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Thiazoles

Intermediate Tree Nodes

Not available

Direct Parent

Nitrothiazoles

Alternative Parents

Nitroaromatic compounds Meta cresols Toluenes Phenoxides 2,5-disubstituted thiazoles 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Nitrothiazole - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenoxide - Phenol - 2,5-disubstituted 1,3-thiazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrothiazoles. These are compounds containing a thiazole ring which bears a nitro group.

External Descriptors

Not available

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