Compound Identification
SMILES
CC[C@](O)([C@H](C)C(=O)SC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=MABSYEYYFVGRLF-ACJLOTCBSA-N
Formula
C18H19NO4S
Mass
345.41
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 esters Phenylpropanes Aryl thioethers Nitroaromatic compounds Fatty acyl thioesters Tertiary alcohols Thioesters Carbothioic S-esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic zwitterions Organic oxides Aromatic alcohols Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Thiophenol ester - Phenylpropane - Nitrobenzene - Nitroaromatic compound - Aryl thioether - Fatty acyl thioester - Tertiary alcohol - C-nitro compound - Organic nitro compound - Carbothioic s-ester - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Alcohol - Aromatic alcohol - Organic zwitterion - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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