Compound Identification
SMILES
NCC1CCC(=O)N1C1=C(C=C(C=C1)C(O)=O)N=C(N)N
InChIKey
InChIKey=ROPICVPBPAQLRK-UHFFFAOYSA-N
Formula
C13H17N5O3
Mass
291.311
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 Phenylpyrrolidines Benzoic acids Benzoyl derivatives Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Amino acids Guanidines Lactams Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Monoalkylamines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Guanidinobenzoic acid - 1-phenylpyrrolidine - Benzoic acid - Benzoyl - 2-pyrrolidone - Pyrrolidone - Pyrrole - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Amino acid - Guanidine - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Primary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Organic oxide - Aromatic heteromonocyclic 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