Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CN[C@@H](CCOC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(OC(=O)N(C)C)C=C1.CN[C@@H](CCOC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(OC(=O)N(C)C)C=C1
InChIKey
InChIKey=JOSUCKKYZJUIPW-SOBORHNCSA-N
Formula
C42H50N6O14
Mass
862.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
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
-
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
Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Carbamate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Dialkylamines Organic salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Ether - Organic oxoazanium - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic cation - 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