Structure Information
Structure

Compound Identification

SMILES

Cl.OC(=O)CC(CC1=NC(CCCC2=NC3=C(CCCN3)C=C2)=NO1)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=UXUOHNQEPDEHRL-UHFFFAOYSA-N

Formula

C23H26ClN5O5

Mass

487.94

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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 - Naphthyridine - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Hydrochloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic zwitterion - 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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