Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CN=C(NNC(=O)C2=CC=C(C=C2)[N+]([O-])=O)N=C1C(F)(F)F

InChIKey

InChIKey=RTLBFVOAZLIIBA-UHFFFAOYSA-N

Formula

C15H12F3N5O5

Mass

399.286

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidinecarboxylic acids and derivatives

Direct Parent

Pyrimidinecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid or derivatives - Nitrobenzene - Pyrimidine-5-carboxylic acid - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Carboxylic acid hydrazide - Organic nitro compound - Carboxylic acid ester - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.

External Descriptors

Not available

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