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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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
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 Azacyclic compounds Organic oxoazanium compounds Amines Organic salts Organooxygen compounds Hydrocarbon derivatives 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 - 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