Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.COC1=C(OC)C=C2C(Cl)=[NH+]C=CC2=C1
InChIKey
InChIKey=OTEUWNIHNWNQIK-UHFFFAOYSA-N
Formula
C13H11ClF3NO4
Mass
337.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Anisoles 2-halopyridines Alkyl aryl ethers Pyridinium derivatives Aryl chlorides Alpha-halocarboxylic acids Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organonitrogen compounds Organic oxides Organochlorides Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Isoquinoline - Anisole - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl halide - Pyridine - Benzenoid - Aryl chloride - Pyridinium - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Azacycle - Organic nitrogen compound - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available