Compound Identification
SMILES
[I-].COC1=CC2=C(C=C1)N(CCCCCOC(=O)C1=CC(=CC=C1)[N+](C)(C)C)C=C2
InChIKey
InChIKey=VRDVIULUPXQZQJ-UHFFFAOYSA-M
Formula
C24H31IN2O3
Mass
522.427
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Aminobenzoic acids and derivatives N-alkylindoles Indoles Aniline and substituted anilines Anisoles Benzoyl derivatives Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic iodide salts Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - N-alkylindole - Benzoate ester - Indole - Indole or derivatives - Anisole - Benzoyl - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic iodide salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available