Compound Identification
SMILES
CC1=C(C#N)C(N)=NC=C1C1=CC(Cl)=CC2=C1CC(C)(C)O2
InChIKey
InChIKey=ARKIRMGPKUKDFO-UHFFFAOYSA-N
Formula
C17H16ClN3O
Mass
313.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
3-pyridinecarbonitriles Methylpyridines Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Benzenoids Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - 3-pyridinecarbonitrile - Alkyl aryl ether - Aminopyridine - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors
Not available