Structure Information
Structure

Compound Identification

SMILES

COC1=C(\C=C(/C#N)C(=O)NC[C@H]2CCCO2)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=XQSIUSQPHSFRIF-WEKMIXOTSA-N

Formula

C16H17N3O5

Mass

331.328

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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

Cinnamic acid amide - Coumaric acid or derivatives - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxolane - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Organic oxoazanium - Ether - Carbonitrile - Nitrile - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Cyanide - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic zwitterion - 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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