Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OCO2)C=C1C=C1SC(NC2=CC=CC=C2)=NC1=O
InChIKey
InChIKey=BTHUQVVKVGENDV-UHFFFAOYSA-N
Formula
C17H11N3O5S
Mass
369.35
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
Aniline and substituted anilines Nitroaromatic compounds Thiazolines Isothioureas N-acylimines Acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Oxacyclic compounds Organic oxoazanium compounds Carbonyl compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitroaromatic compound - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Meta-thiazoline - Isothiourea - C-nitro compound - N-acylimine - Organic nitro compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Acetal - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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