Compound Identification
SMILES
CCOC(=O)C1=NOC(=C1)C1=CSC(=N1)C1CCN(CC2=CSC(=C2)[N+]([O-])=O)CC1
InChIKey
InChIKey=WXJVHEUHXNLETH-UHFFFAOYSA-N
Formula
C19H20N4O5S2
Mass
448.51
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
Nitroaromatic compounds 2,4-disubstituted thiazoles Aralkylamines Piperidines Isoxazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Aralkylamine - Piperidine - Azole - Heteroaromatic compound - Isoxazole - Thiazole - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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