Compound Identification
SMILES
[Cl-].COC(=O)C1=CC=C(C=C1)N1C=C[N+](CC#N)=C1
InChIKey
InChIKey=WTTLUAQQEGITKG-UHFFFAOYSA-M
Formula
C13H12ClN3O2
Mass
277.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Imidazoles
-
Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
-
Subclass
Imidazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Benzoic acid esters Benzoyl derivatives N-substituted imidazoles Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylimidazole - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available