Structure Information
Structure

Compound Identification

SMILES

CC(=O)C(=CC1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCCOC(=O)C1=CC=C(OCCC2=NC=CN2)C=C1

InChIKey

InChIKey=NVGSDOGHYNKMPX-UHFFFAOYSA-N

Formula

C26H25N3O8

Mass

507.499

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid esters

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid esters

Alternative Parents

Benzoic acid esters Nitrobenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Beta-keto acids and derivatives Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enoate esters Enones Heteroaromatic compounds Imidazoles Ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organic salts Hydrocarbon derivatives Organic zwitterions

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid ester - Benzoate ester - Nitrobenzene - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Alkyl aryl ether - Fatty acid ester - Beta-keto acid - Monocyclic benzene moiety - Keto acid - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Imidazole - Acryloyl-group - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Azole - Enoate ester - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.

External Descriptors

Not available

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