Compound Identification
SMILES
CC1(C)OC([O-])=C(C[N+]2=CC=CC=C2)C(=O)O1
InChIKey
InChIKey=OVIXIVMGDMWGQP-UHFFFAOYSA-N
Formula
C12H13NO4
Mass
235.239
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
Pyridinium derivatives Vinylogous esters Vinylogous acids Enoate esters Heteroaromatic compounds Ketene acetals Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Ketal - Pyridine - Pyridinium - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Vinylogous acid - Carboxylic acid ester - Ketene acetal or derivatives - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organopnictogen compound - Organic salt - 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