Compound Identification
SMILES
COC(=O)C(\CC(=O)C(C)(C)C)=N/NC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PGVLELWOEGYAMV-PDGQHHTCSA-N
Formula
C16H19BrN2O4
Mass
383.242
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Gamma-keto acids and derivatives Benzoyl derivatives Fatty acid esters Bromobenzenes Aryl bromides Methyl esters Ketones Monocarboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - Gamma-keto acid - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Fatty acyl - Keto acid - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available