Compound Identification
SMILES
CC1(CC(=O)NN=CC2=CC(=CS2)[N+]([O-])=O)OCCO1
InChIKey
InChIKey=HFTBNIKSLFPAKD-UHFFFAOYSA-N
Formula
C11H13N3O5S
Mass
299.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Nitrothiophenes
- Level 5 3-nitrothiophenes
-
Subclass
Nitrothiophenes
-
Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Nitrothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
3-nitrothiophenes
Alternative Parents
Nitroaromatic compounds Ketals Heteroaromatic compounds 1,3-dioxolanes Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-nitrothiophene - Nitroaromatic compound - Ketal - Meta-dioxolane - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Carbonyl group - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 3-position.
External Descriptors
Not available