Compound Identification
SMILES
OC(=O)CC\C=C/CC1COC(OC1C1=CN=CC=C1)C1=CC=CC=C1C#N
InChIKey
InChIKey=SMPANMCXFZXSLU-UPHRSURJSA-N
Formula
C22H22N2O4
Mass
378.428
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
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 Amino fatty acids Heterocyclic fatty acids Unsaturated fatty acids Pyridines and derivatives 1,3-dioxanes Heteroaromatic compounds Oxacyclic compounds Acetals Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Meta-dioxane - Pyridine - Unsaturated fatty acid - Fatty acid - Fatty acyl - Heteroaromatic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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