Compound Identification
SMILES
CCC1=C(C=C(S1)C=NNC(=O)CCCC(=O)NN=CC1=CC(=C(CC)S1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=IREYRSGIGXGPIO-UHFFFAOYSA-N
Formula
C19H22N6O6S2
Mass
494.54
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
Nitroaromatic compounds 2,3,5-trisubstituted thiophenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-nitrothiophene - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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