Compound Identification
SMILES
Cl.CCOC(=O)C1=C(N)C=C(Br)C=C1
InChIKey
InChIKey=ZJFMLCOTRQBWRR-UHFFFAOYSA-N
Formula
C9H11BrClNO2
Mass
280.55
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 4-halobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Bromobenzenes Aryl bromides Vinylogous amides Carboxylic acid esters Amino acids and derivatives Primary amines Organooxygen compounds Organobromides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Primary amine - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - 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