Compound Identification
SMILES
CCOC(=O)C1=C(NC2=CC=C(C=C2)[N+]([O-])=O)SC(=CC2=CC=C(SC)C=C2)C1=O
InChIKey
InChIKey=OPNWTQYYOJYTFY-UHFFFAOYSA-N
Formula
C21H18N2O5S2
Mass
442.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Thiophenol ethers Aniline and substituted anilines Nitroaromatic compounds Alkylarylthioethers Vinylogous thioesters Vinylogous amides Dihydrothiophenes Enoate esters Thioenol ethers Cyclic ketones Ketene acetals Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Amines Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Aniline or substituted anilines - Alkylarylthioether - Vinylogous thioester - 2,3-dihydrothiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - C-nitro compound - Thioenolether - Cyclic ketone - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic cation - 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