Structure Information
Structure

Compound Identification

SMILES

CCC1=NC(S\C(=C\C2=CC(=C(C=C2)N2CCCC2)[N+]([O-])=O)C([O-])=O)=NN1

InChIKey

InChIKey=AAXQDVVPFFOHPS-GXDHUFHOSA-M

Formula

C17H18N5O4S

Mass

388.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acids

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid - 1-phenylpyrrolidine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Pyrrole - Pyrrolidine - Amino acid - Organic nitro compound - Carboxylic acid salt - C-nitro compound - Amino acid or derivatives - Thioenolether - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Sulfenyl compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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