Compound Identification
SMILES
OC(=O)C(CCCCN1C=NC2=C1NC=NCC2=O)CC1=CC(Br)=CC=C1
InChIKey
InChIKey=NZZPKMCPPRVJLL-UHFFFAOYSA-N
Formula
C19H21BrN4O3
Mass
433.306
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Imidazodiazepines Aryl alkyl ketones Medium-chain fatty acids 1,3-diazepines Branched fatty acids Bromobenzenes Halogenated fatty acids Heterocyclic fatty acids Aryl bromides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Formamidines Carboxylic acids Carboxamidines Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organobromides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Imidazo-meta-diazepine - Imidazodiazepine - Medium-chain fatty acid - Aryl ketone - Aryl alkyl ketone - Meta-diazepine - Branched fatty acid - Bromobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - N-substituted imidazole - Fatty acid - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Amidine - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organobromide - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available