Structure Information
Structure

Compound Identification

SMILES

CC1(C)OC([O-])=C([C@@H]([C@H](C#N)C(=N)C(C#N)C#N)C2=CC=CC=C2)C(=O)O1

InChIKey

InChIKey=XKHRFBGGTCRCOC-UONOGXRCSA-M

Formula

C19H15N4O4

Mass

363.354

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Ethers

Intermediate Tree Nodes

Acetals

Direct Parent

Ketals

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Ketal - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Vinylogous acid - Carboxylic acid ester - Ketene acetal or derivatives - Ketimine - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Carbonyl group - Organonitrogen compound - Organopnictogen compound - Imine - Organic anion - 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

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