Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1NC(=CC([NH2+]1)C1=C(O)C=CC(Br)=C1)C1=CC=C(C)C=C1
InChIKey
InChIKey=QSRPXKXIFAOROQ-UHFFFAOYSA-O
Formula
C25H24BrN2O3
Mass
480.381
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
P-bromophenols Benzoyl derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aryl bromides Hydropyrimidines Quaternary ammonium salts Methyl esters Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Toluene - Phenol - Aryl bromide - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Methyl ester - Quaternary ammonium salt - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Enamine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic cation - Aromatic heteromonocyclic 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