Compound Identification
SMILES
COC1=C(C=C(C)C(NC(=O)COC(=O)C2=CC(O)=C(O)C(O)=C2)=C1)[N+]([O-])=O
InChIKey
InChIKey=KMXMWIIKHABLOT-UHFFFAOYSA-N
Formula
C17H16N2O9
Mass
392.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
-
Level 6
Gallic acid and derivatives
- Level 7 Galloyl esters
-
Level 6
Gallic acid and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives - Gallic acid and derivatives
Direct Parent
Galloyl esters
Alternative Parents
p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Nitrophenyl ethers Anilides Pyrogallols and derivatives Methoxyanilines Nitrotoluenes Anisoles Benzoyl derivatives Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Polyols Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Galloyl ester - Nitrophenyl ether - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Pyrogallol derivative - Nitrobenzene - Anilide - Methoxyaniline - Nitrotoluene - Benzenetriol - Benzoyl - Methoxybenzene - Phenoxy compound - N-arylamide - Phenol ether - Anisole - Nitroaromatic compound - Phenol - Toluene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Polyol - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic oxide - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.
External Descriptors
Not available