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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
Alpha amino acid esters Benzamides Benzothiazoles Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines Alkylarylthioethers Thiazoles Alpha-halocarboxylic acids Secondary carboxylic acid amides Carboxylic acid esters Guanidines Monocarboxylic acids and derivatives Carboxylic acids Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Alkyl bromides Carbonyl compounds Organic oxides Organic zwitterions Organobromides Hydrobromides Hydrocarbon derivatives
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