Compound Identification
SMILES
NC(=O)C1=C(SC(Br)=C1)[N+]([O-])=O
InChIKey
InChIKey=UUIXLRCZHBPZNE-UHFFFAOYSA-N
Formula
C5H3BrN2O3S
Mass
251.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Nitrothiophenes
- Level 5 2-nitrothiophenes
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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 2,3,5-trisubstituted thiophenes Nitroaromatic compounds Aryl bromides Heteroaromatic compounds Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organic oxides Organobromides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic oxygen compound - 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