Compound Identification
SMILES
NC(N)=NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C1=NCCN1
InChIKey
InChIKey=MAPWLFDDCMNFPI-UHFFFAOYSA-N
Formula
C21H19N5O2
Mass
373.416
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 Benzoic acid esters Naphthalenes Benzoyl derivatives Imidolactams Imidazolines Guanidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxamidines Hydrocarbon derivatives Organic oxides Organooxygen compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guanidinobenzoic acid or derivatives - Benzoate ester - Naphthalene - Phenol ester - Benzoyl - Imidolactam - 2-imidazoline - Carboxylic acid ester - Guanidine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - 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