Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC(N1C=NC(=C1)[N+]([O-])=O)C1=CC=CC=C1

InChIKey

InChIKey=FQKKROJQSFWZJH-UHFFFAOYSA-N

Formula

C12H11N3O4

Mass

261.237

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Nitroimidazole - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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