Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(Br)C=C(Br)C=C1C=C(C#N)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=RNUXLCQYLUPLKA-UHFFFAOYSA-N

Formula

C18H12Br2ClN3O4

Mass

529.57

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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 homomonocyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid amide - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Alkyl aryl ether - Halobenzene - Bromobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxide - Organic zwitterion - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organobromide - Aromatic homomonocyclic 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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