Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NC(NC1=CC=C(C=C1)C(N)=O)=NC(=O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=HBWJVOLXHQBNPW-UHFFFAOYSA-N
Formula
C23H19ClN4O4
Mass
450.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Acylguanidines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboximidamides Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Guanidinobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Acylguanidine - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Guanidine - Primary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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