Compound Identification
SMILES
CN1C(CNC(=O)C2=CC3=C(OCO3)C=C2)=NN=C1SCC(=O)NC1=C(C)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QSNHXIOJBPZXHL-UHFFFAOYSA-N
Formula
C21H20N6O6S
Mass
484.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Anilides Nitrobenzenes Nitrotoluenes N-arylamides Nitroaromatic compounds Alkylarylthioethers Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Acetals Azacyclic compounds Sulfenyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anilide - Nitrotoluene - Nitrobenzene - Benzodioxole - N-arylamide - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Azole - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Carbonyl group - Organic salt - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available