Compound Identification
SMILES
CN=C(NCCNC(C)=O)NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(N)=N
InChIKey
InChIKey=MZPFLMXYBDLKPE-UHFFFAOYSA-N
Formula
C24H26N6O3
Mass
446.511
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
Phenol esters Naphthalenes Benzoic acid esters Benzoyl derivatives Acetamides Secondary carboxylic acid amides Guanidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Guanidinobenzoic acid or derivatives - Benzoate ester - Naphthalene - Phenol ester - Benzoyl - Acetamide - Carboxamide group - Carboxylic acid ester - Guanidine - Secondary carboxylic acid amide - Carboxylic acid derivative - Amidine - Carboxylic acid amidine - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Imine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic 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