Compound Identification
SMILES
[O-]S(=O)(=O)C(F)(F)F.CN1C(C)=C[NH+](C)C1(C)SCC(=O)CC(CC=O)OC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=SQCITOZXDMGGPO-UHFFFAOYSA-N
Formula
C20H26F3N3O8S2
Mass
557.56
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
Trifluoromethanesulfonates Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Sulfonyls Quaternary ammonium salts Alpha-hydrogen aldehydes Organosulfonic acids Imidazolines Methanesulfonates Trihalomethanes Ketones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Organic oxoazanium compounds Hydrocarbon derivatives Organofluorides Organic zwitterions Organic salts Alkyl fluorides Organic oxides
Molecular Framework
Not available
Substituents
Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Trifluoromethanesulfonate - Phenol ether - Alkyl aryl ether - Alpha-hydrogen aldehyde - 4-imidazoline - Methanesulfonate - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Ketone - Trihalomethane - C-nitro compound - Organic nitro compound - Dialkylthioether - Sulfenyl compound - Thioether - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Organosulfur compound - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Aldehyde - Organic oxide - Halomethane - Carbonyl group - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic 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