Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C(NC1=CC=C(Br)C=C1)C1CCCCC1=O
InChIKey
InChIKey=SDISNVDLMJTLBP-UHFFFAOYSA-N
Formula
C21H22BrNO3
Mass
416.315
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
Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Aryl bromides Methyl esters Cyclic ketones Amino acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl bromide - Aryl halide - Methyl ester - Cyclic ketone - Carboxylic acid ester - Ketone - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic 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