Compound Identification
SMILES
[H][C@]1(C(=O)OC)[C@]([H])(C2=CC=C(C)C=C2)[C@]1(C#N)C(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=ATHVCNKAPDXQEK-JQVVWYNYSA-N
Formula
C22H18N2O3
Mass
358.397
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Gamma-keto acids and derivatives Aryl alkyl ketones Toluenes Substituted pyrroles Cyclopropanecarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Toluene - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Keto acid - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Methyl ester - Vinylogous amide - Ketone - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available