Compound Identification
SMILES
COC1=CC=C(NC2=NC(=O)C(S2)=CC2=CC(=C(SCCO)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=WSOBSBQSJJYTCG-UHFFFAOYSA-N
Formula
C19H17N3O5S2
Mass
431.48
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
Methoxyanilines Thiophenol ethers Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Thiazolines N-acylimines Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Amines Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Methoxyaniline - Aryl thioether - Nitroaromatic compound - Phenoxy compound - Anisole - Phenol ether - Thiophenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Alkylarylthioether - Meta-thiazoline - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organosulfur compound - Hydrocarbon derivative - Primary alcohol - Organic salt - Amine - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - 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