Compound Identification
SMILES
[Na+].CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C(C)C2=C(CN(CCC(O)=O)CC2)C=C1)C#N
InChIKey
InChIKey=OZMDKUCCVZLCCO-UHFFFAOYSA-N
Formula
C25H26N4NaO4
Mass
469.496
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
Tetrahydroisoquinolines Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Aralkylamines Heteroaromatic compounds Trialkylamines Amino acids Oxacyclic compounds Azacyclic compounds Organic alkali metal salts Carboxylic acids Monocarboxylic acids and derivatives Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Tetrahydroisoquinoline - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Amino acid - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic alkali metal salt - Cyanide - Organic oxygen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - 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