Compound Identification
SMILES
CC1(C)OC2=C(C=C(C=C2)C#N)[C@@H](N=C(NC#N)NC2=CC=C(C=C2)C(O)=O)[C@@H]1O
InChIKey
InChIKey=WUZNSFBONAPOHI-MSOLQXFVSA-N
Formula
C21H19N5O4
Mass
405.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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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
2,2-dimethyl-1-benzopyrans Benzoic acids Benzoyl derivatives Alkyl aryl ethers Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Carboxylic acids Carboximidamides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guanidinobenzoic acid - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Benzoic acid - Benzoyl - Alkyl aryl ether - Guanidine - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteropolycyclic 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