Compound Identification
SMILES
CS(=O)(=O)C1=NC(OC2=CC(=C(C=C2)C#N)[N+]([O-])=O)=C(C(OC(CC2=CC=C(C=C2)S([O-])=O)C(O)=O)=N1)[N+]([O-])=O
InChIKey
InChIKey=MMDFOFKOPRIWKM-UHFFFAOYSA-M
Formula
C21H14N5O12S2
Mass
592.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Ethers
- Level 5 Diarylethers
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Subclass
Ethers
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylethers
Alternative Parents
Phenylpropanoic acids Nitrobenzenes Benzonitriles Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Sulfones Heteroaromatic compounds Sulfinic acids and derivatives Organic oxoazanium compounds Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Diaryl ether - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Benzonitrile - Alkyl aryl ether - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Sulfinic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxide - Cyanide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors
Not available