Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(N)=C(C#N)C(C(C)C1=CC)(C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=WSBUPVZBTYICPF-UHFFFAOYSA-N
Formula
C18H17F6N3O
Mass
405.344
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Aniline and substituted anilines
- Level 5 Methoxyanilines
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Subclass
Aniline and substituted anilines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyanilines
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Tetrahydropyridines Alkyl aryl ethers Ketene acetals Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Tetrahydropyridine - Hydropyridine - Ketene acetal or derivatives - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group.
External Descriptors
Not available