Compound Identification
SMILES
CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
InChIKey
InChIKey=YPULZJXQBKVULX-SOYKGTTHSA-N
Formula
C28H31N3O8
Mass
537.569
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Alkyl aryl ethers Para dioxins Enoate esters Ketimines Ketene acetals Trialkylamines Amino acids and derivatives Organic oxoazanium compounds Oxacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Nitrobenzene - Dihydropyridinecarboxylic acid derivative - Nitroaromatic compound - Alkyl aryl ether - Dihydropyridine - Para-dioxin - Benzenoid - Hydropyridine - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketene acetal or derivatives - Ketimine - Amino acid or derivatives - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic oxide - Imine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available