Compound Identification
SMILES
CC1(C)OC(=O)C(=C(N)C2=CC=NC=C2)C(=O)O1
InChIKey
InChIKey=LBYAFYPVIJVWCH-UHFFFAOYSA-N
Formula
C12H12N2O4
Mass
248.238
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
- Class Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Acetals
Direct Parent
Ketals
Alternative Parents
Pyridines and derivatives 1,3-dioxanes Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Enoate esters Amino acids and derivatives Lactones Oxacyclic compounds Azacyclic compounds Enamines Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Ketal - Meta-dioxane - Dicarboxylic acid or derivatives - Pyridine - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Lactone - Enamine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Amine - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
External Descriptors
Not available