Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(NC(=S)NNC(=O)COC2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=OFOAJPVTSZSJLE-UHFFFAOYSA-N
Formula
C16H14N4O6S
Mass
390.37
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
Nitrobenzenes Nitroaromatic compounds Alkyl aryl ethers Thiosemicarbazides Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organopnictogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiosemicarbazide - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Acetal - Ether - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - 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