Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(O1)C1OC[C@@H](O)[C@H]1O)C(=O)C(\Br)=C\C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=OSCKIBCROKUSAM-PCUAUUOXSA-N

Formula

C18H16BrNO7

Mass

438.23

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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 heteromonocyclic compounds

Substituents

Cinnamic acid or derivatives - Nitrobenzene - Aryl ketone - Nitroaromatic compound - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Alpha-haloketone - Oxolane - Alpha,beta-unsaturated ketone - Acryloyl-group - Heteroaromatic compound - Enone - Furan - C-nitro compound - Ketone - 1,2-diol - Organic nitro compound - Secondary alcohol - Dialkyl ether - Oxacycle - Ether - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl bromide - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Organic salt - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic 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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