Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)OCC(=O)N1CCN(CC1)C(=O)C1=CC=CO1
InChIKey
InChIKey=UHMYXTCTBSVUGL-UHFFFAOYSA-N
Formula
C18H17BrN2O5
Mass
421.247
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
-
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
3-halobenzoic acids and derivatives 2-heteroaryl carboxamides Benzoyl derivatives Furoic acid and derivatives Bromobenzenes Aryl bromides Piperazines Heteroaromatic compounds Tertiary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - 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