Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

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

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