Compound Identification
SMILES
CC1CCCN(C1)C(=O)COC1=CC=CC=C1C1=NOC(=N1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=IRSIVZNYIXZEEH-UHFFFAOYSA-N
Formula
C22H22N4O5
Mass
422.441
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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-acylpiperidines Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - N-acyl-piperidine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Organic nitro compound - Amino acid or derivatives - Carboxamide group - C-nitro compound - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Oxacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Amine - Aromatic heteromonocyclic 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