Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1N1C=CN=C1S(=O)CCCOC1=CC(\C=C\C(O)=O)=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=HXBOGROCTYNXSG-JXMROGBWSA-N

Formula

C22H21N3O6S

Mass

455.49

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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 - Coumaric acid or derivatives - Nitrophenyl ether - 1-phenylimidazole - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Phenol ether - Styrene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Sulfoxide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Sulfinyl compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - 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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