Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(NC(=O)C(=CC2=CC(Cl)=CC(=C2O)[N+]([O-])=O)C#N)=C1)C1=CC=CC=C1

InChIKey

InChIKey=VFKGPFGMIPYAGU-UHFFFAOYSA-N

Formula

C20H14ClN5O4

Mass

423.81

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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 - Phenylpyrazole - Nitrophenol - Nitrobenzene - Nitroaromatic compound - 4-chlorophenol - 4-halophenol - N-arylamide - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Cyanide - Organic salt - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - 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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