Compound Identification
SMILES
CC1=CC([C@H]2C3=C(OC(N)=C2C#N)C(=O)C=C(CO)O3)=C(C)C=C1
InChIKey
InChIKey=YYASEJLMBGRAMO-OAHLLOKOSA-N
Formula
C18H16N2O4
Mass
324.336
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
p-Xylenes
Alternative Parents
Pyranones and derivatives Heteroaromatic compounds Ketene acetals Oxacyclic compounds Nitriles Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-xylene - Pyranone - Pyran - Heteroaromatic compound - Ketene acetal or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Aromatic alcohol - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
External Descriptors
Not available