Compound Identification
SMILES
CC(CN1CCOCC1)OC(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=AILYVIRIWNVSDL-UHFFFAOYSA-N
Formula
C14H18BrNO3
Mass
328.206
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
2-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Morpholines Vinylogous halides Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Oxazinane - Morpholine - Vinylogous halide - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen 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