Compound Identification
SMILES
COC(=O)C1=CC(=C(S1)N(C)C)[N+]([O-])=O
InChIKey
InChIKey=QTHWVCSUHLZBOR-UHFFFAOYSA-N
Formula
C8H10N2O4S
Mass
230.24
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
Thiophene carboxylic acids and derivatives Nitroaromatic compounds Dialkylarylamines 2,3,5-trisubstituted thiophenes 2-aminothiophenes Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-nitrothiophene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Dialkylarylamine - 2,3,5-trisubstituted thiophene - 2-aminothiophene - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic salt - Amine - Organic nitrogen compound - Organic oxygen compound - Organic cation - 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