Compound Identification
SMILES
CC(=O)NC1=CC=C(NC(=O)COC2=C(C=C(C=C2)S(C)(=O)=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=BMSLFPTWTXDEQN-UHFFFAOYSA-N
Formula
C17H17N3O7S
Mass
407.4
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
Acetanilides N-acetylarylamines Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Sulfones Acetamides Secondary carboxylic acid amides 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
Nitrophenyl ether - Acetanilide - N-acetylarylamine - Benzenesulfonyl group - Anilide - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Alkyl aryl ether - Sulfone - Sulfonyl - Acetamide - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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