Compound Identification
SMILES
CCCSC1=CC(NCCOC(C)=O)=C(C2=NON=C12)[N+]([O-])=O
InChIKey
InChIKey=RTMGFPKMRPKUOS-UHFFFAOYSA-N
Formula
C13H16N4O5S
Mass
340.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxadiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxadiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxadiazoles
Alternative Parents
Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Secondary alkylarylamines Furazans Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxadiazole - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Secondary aliphatic/aromatic amine - Benzenoid - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Thioether - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
External Descriptors
Not available