Compound Identification
SMILES
COC(=O)C1=CC(=CC(N\C(NC(=O)OC(C)(C)C)=N/C(=O)OC(C)(C)C)=C1)C(O)C[N+]([O-])=O
InChIKey
InChIKey=GIUBUJMXBFJDLU-UHFFFAOYSA-N
Formula
C21H30N4O9
Mass
482.49
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
Benzoic acid esters Benzoyl derivatives Carbamate esters Methyl esters Secondary alcohols C-nitro compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Organic zwitterions Carbonyl compounds Aromatic alcohols Organic salts Organic oxides Hydrocarbon derivatives Imines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Guanidinobenzoic acid or derivatives - Benzoate ester - Benzoyl - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Guanidine - C-nitro compound - Secondary alcohol - Organic nitro compound - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Imine - Organic oxide - Alcohol - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic alcohol - Carbonyl group - Aromatic homomonocyclic 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