Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.NC([NH3+])=NC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1
InChIKey
InChIKey=OQOAFLQPEWOABW-RJUBDTSPSA-N
Formula
C13H14F3N3O3
Mass
317.268
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Guanidines
- Level 5 Acylguanidines
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Subclass
Guanidines
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Guanidines
Intermediate Tree Nodes
Not available
Direct Parent
Acylguanidines
Alternative Parents
Benzene and substituted derivatives Cyclopropanecarboxylic acids and derivatives Quaternary ammonium salts Alpha-halocarboxylic acids N-acylimines Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Carboximidamides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic zwitterions Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Acylguanidine - Benzenoid - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Quaternary ammonium salt - N-acylimine - Carboxylic acid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylguanidines. These are n-acylated derivatives of guanidines.
External Descriptors
Not available