Structure Information
Structure

Compound Identification

SMILES

CC1N(C)C(=NC(C2=CC(=CC=C2)[N+]([O-])=O)=C1C(O)=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=DDILDQAAOYJTSD-UHFFFAOYSA-N

Formula

C19H16ClN3O4

Mass

385.8

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acids

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid - Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Organic nitro compound - C-nitro compound - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboximidamide - Organic oxide - Organic salt - Carbonyl group - Amine - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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