Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(=O)OC1=CC=CC=C1C(=O)OCCO[N+]([O-])=O
InChIKey
InChIKey=MZYQPBZHTMQLJX-HNNXBMFYSA-N
Formula
C23H21NO8
Mass
439.42
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 Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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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 - Salicylic acid and derivatives
Direct Parent
Acylsalicylic acids and derivatives
Alternative Parents
Benzoic acid esters Phenol esters Naphthalenes Anisoles Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Alkyl nitrates Organic nitric acids and derivatives Carboxylic acid esters Organic nitro compounds Monocarboxylic acids and derivatives Organic salts Hydrocarbon derivatives Carbonyl compounds Organic nitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Acylsalicylic acid or derivatives - Benzoate ester - Naphthalene - Phenol ester - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Alkyl nitrate - Organic nitrate - Carboxylic acid ester - Organic nitro compound - Organic nitric acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as acylsalicylic acids and derivatives. These are salicylic acids or derivatives, that are O-acylated.
External Descriptors
Not available