Compound Identification
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC1=C(C(=O)OC)C(=CS1)[N+]([O-])=O
InChIKey
InChIKey=XCWUJUKZJKGQBF-UHFFFAOYSA-N
Formula
C16H18N4O4S
Mass
362.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Nitrothiophenes
- Level 5 3-nitrothiophenes
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Subclass
Nitrothiophenes
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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 Aniline and substituted anilines Methyl esters Heteroaromatic compounds Azo compounds Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-nitrothiophene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Azo compound - Carboxylic acid ester - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic zwitterion - Organic salt - 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