Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.COC1=CC(N)=C(Cl)C=C1C1=NOC(=N1)C1CCC2=C(C1)NC=N2
InChIKey
InChIKey=QQCDGBRTBAGPKP-WLHGVMLRSA-N
Formula
C20H20ClN5O6
Mass
461.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxadiazoles
-
Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
-
Level 5
1,2,4-oxadiazoles
-
Subclass
Oxadiazoles
-
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
Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Unsaturated fatty acids Aryl chlorides Dicarboxylic acids and derivatives Imidazoles Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Not available
Substituents
Phenyl-1,2,4-oxadiazole - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Imidazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Primary amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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