Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.O=C1C2=[NH+]C=C3CCNC(C=C1NCC1=CC4=C(OCO4)C=C1)=C23
InChIKey
InChIKey=SIIKWHAFUJXWEJ-UHFFFAOYSA-N
Formula
C20H16F3N3O5
Mass
435.359
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Indoles and derivatives Tetrahydropyridines Aralkylamines Benzenoids Alpha-halocarboxylic acids Ketones Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Enamines Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organic zwitterions Organofluorides Alkyl fluorides Aldehydes Organopnictogen compounds
Molecular Framework
Not available
Substituents
Benzodioxole - Indole or derivatives - Tetrahydropyridine - Aralkylamine - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Ketone - Carboxylic acid salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Enamine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aldehyde - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available