Compound Identification
SMILES
C\C(N)=C(\C#N)C(=O)COC(=O)C1=COCCO1
InChIKey
InChIKey=FMMMLULNFYWARD-BQYQJAHWSA-N
Formula
C11H12N2O5
Mass
252.226
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Alpha-acyloxy carbonyl compounds
- Level 6 Alpha-acyloxy ketones
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Level 5
Alpha-acyloxy carbonyl compounds
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Alpha-acyloxy carbonyl compounds
Direct Parent
Alpha-acyloxy ketones
Alternative Parents
Para dioxins Alpha-branched alpha,beta-unsaturated ketones Vinylogous esters Vinylogous amides Acryloyl compounds Enoate esters Enones Amino acids and derivatives Ketones Oxacyclic compounds Nitriles Enamines Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Alpha-acyloxy ketone - Para-dioxin - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Vinylogous amide - Vinylogous ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Enamine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Cyanide - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Primary amine - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-acyloxy ketones. These are ketones that have an acyloxy substituent alpha to the carbonyl group. They have the general structure R4C(=O)OC(R2)(R3)C(R1)=O (R1=organyl, R4=H or organyl; R2,R3 = any atom).
External Descriptors
Not available