Compound Identification
SMILES
COC1=C(C=C(C=C1)[N+]([O-])=O)N(CC(=O)NCCSCC1=CC=CC(C)=C1)S(C)(=O)=O
InChIKey
InChIKey=ZJPVFKOMLYUOQV-UHFFFAOYSA-N
Formula
C20H25N3O6S2
Mass
467.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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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
Nitrophenyl ethers
Alternative Parents
Sulfanilides Alpha amino acids and derivatives Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Toluenes Alkyl aryl ethers Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Organic oxoazanium compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Sulfanilide - Alpha-amino acid or derivatives - Methoxyaniline - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - Nitroaromatic compound - Alkyl aryl ether - Toluene - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thioether - Ether - Sulfenyl compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available