Compound Identification
SMILES
NC1=C(C#N)C(C2=CC=C(Cl)C=C2)=C(C#N)C(N1)=C(C#N)C#N
InChIKey
InChIKey=QKXAUHJUGDUQNZ-UHFFFAOYSA-N
Formula
C16H7ClN6
Mass
318.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Aromatic monoterpenoids
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Subclass
Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aromatic monoterpenoids
Alternative Parents
Monocyclic monoterpenoids Dihydropyridines Chlorobenzenes Aryl chlorides Ketene acetals Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aromatic monoterpenoid - Monocyclic monoterpenoid - Chlorobenzene - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Ketene acetal or derivatives - Carbonitrile - Organoheterocyclic compound - Azacycle - Nitrile - Amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
External Descriptors
Not available