Compound Identification
SMILES
CC1=CC=C(NC(=O)N2CC3=C(CC2C2=NC(=NO2)C2=CC(=CC=C2)N(=O)=O)N=CN3)C=C1
InChIKey
InChIKey=OFRROZNHFKWTIB-UHFFFAOYSA-N
Formula
C22H19N7O4
Mass
445.439
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Oxadiazoles
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Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
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Level 5
1,2,4-oxadiazoles
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Subclass
Oxadiazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxadiazoles
Intermediate Tree Nodes
1,2,4-oxadiazoles
Direct Parent
Phenyloxadiazoles
Alternative Parents
N-phenylureas Pyridinecarboxamides Imidazopiperidines Imidazopyridines Nitrobenzenes Nitroaromatic compounds Toluenes Heteroaromatic compounds Imidazoles Ureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - N-phenylurea - Imidazopiperidine - Imidazopyridine - Nitrobenzene - Pyridinecarboxamide - Nitroaromatic compound - Toluene - Monocyclic benzene moiety - Benzenoid - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Urea - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors
Not available