Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=CC(NC(=O)C2CNC3=CC=CC=C3O2)=C1)C(F)(F)F

InChIKey

InChIKey=JGFWBQRLPMNHHA-UHFFFAOYSA-N

Formula

C16H13F3N2O3

Mass

338.286

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Benzomorpholine - Benzoxazine - Trifluoromethylbenzene - Anilide - N-arylamide - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Oxazinane - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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