Compound Identification
SMILES
CCN(CC)S(=O)(=O)C1=CC(C(=O)OCC(=O)NC2=CC(OC)=C(C=C2C)[N+]([O-])=O)=C(Cl)C=C1
InChIKey
InChIKey=PBXXHMVNPVXCSX-UHFFFAOYSA-N
Formula
C21H24ClN3O8S
Mass
513.95
Taxonomic Classification
Taxonomy Tree
-
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
2-halobenzoic acids and derivatives Benzenesulfonamides Benzoic acid esters Anilides Benzenesulfonyl compounds Methoxyanilines Nitrotoluenes Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds N-arylamides Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Organosulfonamides Aryl chlorides Vinylogous halides Aminosulfonyl compounds Carboxylic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - 2-halobenzoic acid or derivatives - Benzoate ester - Benzenesulfonamide - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anilide - Methoxyaniline - Nitrotoluene - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - N-arylamide - Benzoyl - Anisole - Toluene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Organosulfonic acid amide - Vinylogous halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organonitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organochloride - Organohalogen compound - Organosulfur 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