Structure Information
Structure

Compound Identification

SMILES

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCN1C=CC2=C1C=CC(=C2)[N+]([O-])=O

InChIKey

InChIKey=KCTTTZCCHPGPGI-UHFFFAOYSA-N

Formula

C22H26N3O4

Mass

396.466

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Taxonomic Classification

Taxonomy Tree

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

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 - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organic salt - 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

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