Compound Identification
SMILES
CC(C)OC1=CC(NC(C)=O)=C(C=C1C(O)=O)N=C(N)N
InChIKey
InChIKey=XBWLCLBANPIKGJ-UHFFFAOYSA-N
Formula
C13H18N4O4
Mass
294.311
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Aminobenzoic acids and derivatives
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Level 6
Guanidinobenzoic acids and derivatives
- Level 7 Guanidinobenzoic acids
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Level 6
Guanidinobenzoic acids and derivatives
-
Level 5
Aminobenzoic acids and 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 - Guanidinobenzoic acids and derivatives
Direct Parent
Guanidinobenzoic acids
Alternative Parents
Acylaminobenzoic acid and derivatives Acetanilides Benzoic acids N-acetylarylamines Phenoxy compounds Benzoyl derivatives Phenol ethers Alkyl aryl ethers Acetamides Guanidines Secondary carboxylic acid amides Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Guanidinobenzoic acid - Acetanilide - N-acetylarylamine - Benzoic acid - Anilide - Phenoxy compound - Benzoyl - N-arylamide - Phenol ether - Alkyl aryl ether - Acetamide - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as guanidinobenzoic acids. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid.
External Descriptors
Not available