Compound Identification
SMILES
CC(C)OC(=O)C1=CC=CC(=C1)C1=NC2=CC(=C(Cl)C=C2N1)[N+]([O-])=O
InChIKey
InChIKey=PNMRLVQFUJJBNT-UHFFFAOYSA-N
Formula
C17H14ClN3O4
Mass
359.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzimidazoles
- Subclass Phenylbenzimidazoles
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Class
Benzimidazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Phenylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzimidazoles
Alternative Parents
Phenylimidazoles Benzoic acid esters Benzoyl derivatives Nitroaromatic compounds Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbenzimidazole - 2-phenylimidazole - Benzoate ester - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors
Not available