Compound Identification
SMILES
COCC1=CC(C)=NC(NC2=CC(C)=C(C)C=C2)=C1C#N
InChIKey
InChIKey=QPWQLYOFTYUMOE-UHFFFAOYSA-N
Formula
C17H19N3O
Mass
281.359
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
o-Xylenes
Alternative Parents
Aniline and substituted anilines 3-pyridinecarbonitriles Methylpyridines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Secondary amines Nitriles Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-xylene - Aniline or substituted anilines - 3-pyridinecarbonitrile - Aminopyridine - Methylpyridine - Pyridine - Imidolactam - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Ether - Dialkyl ether - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
External Descriptors
Not available