Structure Information
Structure

Compound Identification

SMILES

Cl.CCN(CC)CCN(C(=O)C=CC1=CC(=CC=C1)[N+]([O-])=O)C1=NC2=C(OC)C=CC(OC)=C2S1

InChIKey

InChIKey=GPTUMXNLJGNUBC-UHFFFAOYSA-N

Formula

C24H29ClN4O5S

Mass

521.03

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Nitrobenzene - 1,3-benzothiazole - Nitroaromatic compound - Styrene - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiazole - Azole - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Organic nitro compound - C-nitro compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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