Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1\C(Br)=C(/NC(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCCCC1

InChIKey

InChIKey=ONTXMSXJUJNFRX-FMQUCBEESA-N

Formula

C22H22BrN3O6

Mass

504.337

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid amide - Coumaric acid or derivatives - Alpha-amino acid or derivatives - N-acyl-piperidine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - Carbamic acid ester - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Bromoalkene - Vinyl halide - Haloalkene - Organic oxoazanium - Organoheterocyclic compound - Vinyl bromide - Organic salt - Organohalogen compound - Organic zwitterion - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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