Compound Identification
SMILES
OCC(O)CNC(=O)C1=CC=C(S1)[N+]([O-])=O
InChIKey
InChIKey=CMKXEPRNNSIAPL-UHFFFAOYSA-N
Formula
C8H10N2O5S
Mass
246.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Nitrothiophenes
- Level 5 2-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
2-nitrothiophenes
Alternative Parents
Thiophene carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds 2,5-disubstituted thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - 2-heteroaryl carboxamide - Thiophene carboxamide - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Organic nitro compound - 1,2-diol - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic salt - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.
External Descriptors
Not available