Compound Identification
SMILES
NS(=O)(=O)C1=CC(=C(OCCCNC2=NC(Cl)=NC=C2Br)C=C1)[N+]([O-])=O
InChIKey
InChIKey=USEKSLOIPLREBN-UHFFFAOYSA-N
Formula
C13H13BrClN5O5S
Mass
466.69
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
-
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
Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Nitroaromatic compounds 2-halopyrimidines Alkyl aryl ethers Aminopyrimidines and derivatives Organosulfonamides Aryl bromides Aryl chlorides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organobromides Amines Organochlorides Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Organosulfonic acid amide - Pyrimidine - Aryl bromide - Aryl chloride - Imidolactam - Aryl halide - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organobromide - Organic oxide - Organohalogen compound - Organic salt - Organic oxygen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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