Compound Identification
SMILES
COC(=O)CC1=C(SC2=CC=CC=C12)[N+]([O-])=O
InChIKey
InChIKey=RGCSWPDRANEJSJ-UHFFFAOYSA-N
Formula
C11H9NO4S
Mass
251.26
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
1-benzothiophenes Nitroaromatic compounds Benzenoids Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 2-nitrothiophene - 1-benzothiophene - Nitroaromatic compound - Benzenoid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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