Compound Identification
SMILES
CC(=O)SC1=CC=C(C=C1)C#CC1=C(N)C=C(C#CC2=CC=CC=C2)C(=C1)[N+]([O-])=O
InChIKey
InChIKey=QIANDBGMWAOTLV-UHFFFAOYSA-N
Formula
C24H16N2O3S
Mass
412.46
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
Thiophenol esters Aniline and substituted anilines Aryl thioethers Nitroaromatic compounds Thioesters Amino acids and derivatives Carbothioic S-esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic salts Organic oxides Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Thiophenol ester - Aryl thioether - Nitroaromatic compound - Aniline or substituted anilines - Amino acid or derivatives - C-nitro compound - Thiocarboxylic acid ester - Organic nitro compound - Carbothioic s-ester - Carboxylic acid derivative - Organic oxoazanium - Thiocarboxylic acid or derivatives - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic zwitterion - Amine - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic 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