Compound Identification
SMILES
CC(=O)OCCN(CCOC(C)=O)C1=CC=C(C=C1)N=NC1=C(C=C(S1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=YPNBSXJSFUWYMV-UHFFFAOYSA-N
Formula
C18H19N5O8S
Mass
465.44
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
2-nitrothiophenes Nitroaromatic compounds Dialkylarylamines Aniline and substituted anilines 2,3,5-trisubstituted thiophenes Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Azo compounds Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-nitrothiophene - 2-nitrothiophene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - 2,3,5-trisubstituted thiophene - Tertiary aliphatic/aromatic amine - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - Tertiary amine - C-nitro compound - Carboxylic acid ester - Azo compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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