Compound Identification
SMILES
CC1=CC=CC(=N1)C1=C(N=C(N1)C1CCN(CC1)S(=O)(=O)CC1=CC=CC=C1[N+]([O-])=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=GRYJBXNBDAWYNI-UHFFFAOYSA-N
Formula
C28H27N5O6S
Mass
561.61
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
Nitrobenzenes 2,4,5-trisubstituted imidazoles Nitroaromatic compounds Methylpyridines Piperidines Organic sulfonamides Organosulfonamides Sulfonyls Heteroaromatic compounds Acetals Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Benzodioxole - 2,4,5-trisubstituted-imidazole - Nitroaromatic compound - Trisubstituted imidazole - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Pyridine - Piperidine - Azole - Sulfonyl - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Imidazole - C-nitro compound - Organic nitro compound - Acetal - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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