Compound Identification
SMILES
COC1=CC=CC([C@H]2O[C@@H](CC(O)=O)C3=NN=C(N3C3=C2C=C(C=C3)C#N)C(F)(F)C(F)(F)F)=C1Cl
InChIKey
InChIKey=LNUXEIVUWYGKID-MAUKXSAKSA-N
Formula
C22H14ClF5N4O4
Mass
528.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
-
Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - 1,2,4-triazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available