Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)NNC(=S)NC1=CC2=C(OCO2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=NIUVKXPSINIVPC-UHFFFAOYSA-N
Formula
C16H14N4O5S
Mass
374.37
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
p-Toluamides Benzoic acids and derivatives Nitrotoluenes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Thiosemicarbazides Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organopnictogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzoic acid or derivatives - P-toluamide - Toluamide - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Toluene - Monocyclic benzene moiety - Benzenoid - Thiosemicarbazide - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - 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