Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C1=NC(NC2=CC3=C(OCO3)C=C2)=NN1

InChIKey

InChIKey=BWDSPBZZPMVCKL-UHFFFAOYSA-N

Formula

C16H10F3N5O4

Mass

393.282

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Benzodioxole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Acetal - Oxacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Organic oxygen compound - Organic zwitterion - Alkyl fluoride - Organic oxide - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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