Compound Identification
SMILES
CCCC1=CC=C(OCC(=O)NN=CC2=CC(=CS2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=OHMHBDHOHHKTIV-UHFFFAOYSA-N
Formula
C16H17N3O4S
Mass
347.39
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
Phenylpropanes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers 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 - Phenylpropane - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Organic oxygen 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