Compound Identification
SMILES
CC1=CC[C@]2(C#N)C3(OCCO3)N=C(N)[C@]2(C1)C#N
InChIKey
InChIKey=VOVRHYJXRBXJDF-NWDGAFQWSA-N
Formula
C13H14N4O2
Mass
258.281
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoindoles and derivatives
- Subclass Isoindoles
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Class
Isoindoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Isoindoles
Alternative Parents
Imidolactams Pyrrolines 1,3-dioxolanes Orthocarboxylic acid derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoindole - Imidolactam - Meta-dioxolane - Pyrroline - Orthocarboxylic acid derivative - Amidine - Carboxylic acid amidine - Carbonitrile - Nitrile - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
External Descriptors
Not available