Compound Identification
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC1=C(C=C(S1)[N+]([O-])=O)C(=O)OC
InChIKey
InChIKey=VKJAYGIKQZGFGL-UHFFFAOYSA-N
Formula
C16H18N4O4S
Mass
362.4
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
2,3,5-trisubstituted thiophenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Thiophene carboxylic acids and derivatives Methyl esters Heteroaromatic compounds Azo compounds Amino acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - 2,3,5-trisubstituted thiophene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Tertiary amine - Azo compound - Amino acid or derivatives - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - 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