Compound Identification
SMILES
CC1=CC=C(C=C1)N=C1SC=C(N1N=CC1=CC2=C(OCO2)C=C1[N+]([O-])=O)C1=CC2=CC=CC=C2O1
InChIKey
InChIKey=SGUREXBDXXKRPZ-UHFFFAOYSA-N
Formula
C26H18N4O5S
Mass
498.51
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
Benzofurans Nitroaromatic compounds Toluenes Thiazoles Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzofuran - Nitroaromatic compound - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Furan - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Acetal - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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