Compound Identification
SMILES
[I-].C[S+](C)CCOC(=O)C(=[N+]=[N-])c1ccc(cc1)[N+]([O-])=O
InChIKey
InChIKey=RVWYUCAAPBQHQU-UHFFFAOYSA-M
Formula
C12H14IN3O4S
Mass
423.23
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
Nitroaromatic compounds Alpha-diazo esters Diazo compounds Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Organosulfur compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Alpha-diazo ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Diazo compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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