Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CC(=C1)C(=O)SCCCCN1CCCCC1)[N+]([O-])=O
InChIKey
InChIKey=FLQJYNFOYCNVNE-UHFFFAOYSA-N
Formula
C16H21N3O5S
Mass
367.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Thiobenzoic acids and derivatives Benzoic acids and derivatives Benzoyl derivatives Nitroaromatic compounds Piperidines Trialkylamines Thioesters Amino acids and derivatives Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Thiobenzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Piperidine - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Tertiary amine - Carbothioic s-ester - Thiocarboxylic acid ester - Tertiary aliphatic amine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available