Compound Identification
SMILES
OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1C1=CC=CC=C1O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=XDLZFBKHPVNBAA-IXBIJAQISA-N
Formula
C23H23NO5
Mass
393.439
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Medium-chain fatty acids 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Amino fatty acids Heterocyclic fatty acids Hydroxy fatty acids Unsaturated fatty acids 1,3-dioxanes Oxacyclic compounds Acetals Nitriles Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Medium-chain fatty acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Phenol - Meta-dioxane - Unsaturated fatty acid - Fatty acyl - Fatty acid - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic oxide - Cyanide - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available