Compound Identification
SMILES
COC1=C(C=C(C=C1)[N+]([O-])=O)N(CC(=O)NC1=CC=C(I)C=C1)S(C)(=O)=O
InChIKey
InChIKey=PYSMMESKLJQBET-UHFFFAOYSA-N
Formula
C16H16IN3O6S
Mass
505.28
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 Anilides Phenoxy compounds Nitroaromatic compounds N-arylamides Methoxybenzenes Anisoles Iodobenzenes Alkyl aryl ethers Sulfonyls Organosulfonic acids and derivatives Vinyl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Iodoalkenes Carboxylic acid amides Organopnictogen compounds Organoiodides Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Sulfanilide - Alpha-amino acid or derivatives - Anilide - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - N-arylamide - Phenol ether - Anisole - Iodobenzene - Halobenzene - Alkyl aryl ether - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Carboxamide group - Iodoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Organic oxoazanium - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organic hyponitrite - Organohalogen 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