Compound Identification
SMILES
COC1=CC=C(S[C@@H]2CCCC[C@H]2NC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=SQPJFKGQXMURSO-RTBURBONSA-N
Formula
C20H21N3O6S
Mass
431.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzamides Anisoles Thiophenol ethers Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic salts Organic oxides Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Benzoic acid or derivatives - Benzamide - Thiophenol ether - Phenol ether - Benzoyl - Methoxybenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Alkyl aryl ether - Alkylarylthioether - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - 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