Structure Information
Structure

Compound Identification

SMILES

Br.OC(=O)CBr.CC(C)(C)OC(=O)CN1C(NC(=O)C2=CC=C(C=C2)N=C(N)N)SC2=C1C=CC(=C2)[N+]([O-])=O

InChIKey

InChIKey=KUOLOWUHECXRLX-UHFFFAOYSA-N

Formula

C23H28Br2N6O7S

Mass

692.38

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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

Aminobenzoic acids and derivatives

Direct Parent

Guanidinobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Alpha-amino acid ester - Guanidinobenzoic acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Nitroaromatic compound - Benzoyl - Dialkylarylamine - Alkylarylthioether - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Thiazole - Carboxylic acid ester - Guanidine - C-nitro compound - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Organic nitro compound - Azacycle - Organic oxoazanium - Thioether - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic salt - Organohalogen compound - Carbonyl group - Hydrobromide - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - Organic zwitterion - Alkyl bromide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as guanidinobenzoic acids and derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid (or a derivative thereof).

External Descriptors

Not available

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