Compound Identification
SMILES
COC1=CC(Cl)=C(C=C1C1=NC(=C(C)N1)C1=CN=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=QRPGPBXSILZFFP-UHFFFAOYSA-N
Formula
C16H13ClN4O3
Mass
344.76
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
Nitrophenyl ethers Methoxyanilines 2,4,5-trisubstituted imidazoles Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - 2-phenylimidazole - Nitrobenzene - Methoxyaniline - 2,4,5-trisubstituted-imidazole - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Trisubstituted imidazole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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