Compound Identification
SMILES
OC(=O)CS.OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XQZRNKWXFSVIJE-VTLYIQCISA-N
Formula
C13H16Cl2N2O7S
Mass
415.24
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-Mercaptocarboxylic acids Secondary carboxylic acid amides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Alkylthiols Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic salts Organic zwitterions Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Primary alcohols Alkyl chlorides
Molecular Framework
Not available
Substituents
Nitrobenzene - Nitroaromatic compound - 2-mercaptocarboxylic acid - Carboxamide group - C-nitro compound - Secondary alcohol - Organic nitro compound - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Alkyl chloride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alcohol - Alkyl halide - Primary alcohol - Hydrocarbon derivative - Organic salt - Aromatic alcohol - Carbonyl group - Organic zwitterion - Organic nitrogen compound - 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