Compound Identification
SMILES
COC1=CC(NC(=O)[C@@H](C)SC2=CC=C(C=C2)[N+]([O-])=O)=CC(OC)=C1OC
InChIKey
InChIKey=WVLISTABPQJPDE-LLVKDONJSA-N
Formula
C18H20N2O6S
Mass
392.43
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
Anilides Methoxyanilines Thiophenol ethers Phenoxy compounds Nitroaromatic compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Alkylarylthioethers Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Anilide - Methoxyaniline - Anisole - Phenol ether - Thiophenol ether - N-arylamide - Phenoxy compound - Aryl thioether - Methoxybenzene - Nitroaromatic compound - Alkylarylthioether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen 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