Structure Information
Structure

Compound Identification

SMILES

CN1C(SCCOC2=CC=C(C=C2)C(O)=O)=NC=C1[N+]([O-])=O

InChIKey

InChIKey=NHZHZDRYPDLGOQ-UHFFFAOYSA-N

Formula

C13H13N3O5S

Mass

323.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid - 1,2,5-trisubstituted-imidazole - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Trisubstituted imidazole - Benzoyl - Phenol ether - Nitroimidazole - Imidazolyl carboxylic acid derivative - Alkyl aryl ether - Alkylarylthioether - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.

External Descriptors

Not available

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