Compound Identification
SMILES
NCCNC(=O)C1=NC(=NO1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=YAZISCURRAZBQM-UHFFFAOYSA-N
Formula
C11H11N5O4
Mass
277.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxadiazoles
-
Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
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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
Nitrobenzenes 2-heteroaryl carboxamides Nitroaromatic compounds Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monoalkylamines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Nitrobenzene - 2-heteroaryl carboxamide - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary amine - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organic salt - Amine - Organic zwitterion - Organic oxide - 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