Compound Identification
SMILES
NC(=O)CC1=C(OC(=O)C2=CC=C(C=C2)N=C(N)NN2CCOCC2)C=CC2=C1C=CC(=C2)C(N)=N
InChIKey
InChIKey=INSBBVKPQSCOMI-UHFFFAOYSA-N
Formula
C25H27N7O4
Mass
489.536
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 Phenol esters Naphthalenes Benzoyl derivatives Morpholines Primary carboxylic acid amides Carboxylic acid esters Guanidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Carboximidamides Carboxamidines Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guanidinobenzoic acid or derivatives - Benzoate ester - Naphthalene - Phenol ester - Benzoyl - Morpholine - Oxazinane - Carboxamide group - Carboxylic acid ester - Guanidine - Primary carboxylic acid amide - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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