Compound Identification
SMILES
[I-].C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCN1C=CC2=C1C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=PBEZSZJHYAJJGH-UHFFFAOYSA-M
Formula
C22H26IN3O4
Mass
523.371
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
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 Benzoyl derivatives Nitroaromatic compounds Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Amines Organooxygen compounds Hydrocarbon derivatives Organic iodide salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - N-alkylindole - Indole - Indole or derivatives - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic iodide salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Amine - Hydrocarbon derivative - 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