Structure Information
Structure

Compound Identification

SMILES

CC(=NNC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=RGVBBJMGAGIEQG-UHFFFAOYSA-N

Formula

C18H21ClN2O3

Mass

348.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Delta valerolactones

Intermediate Tree Nodes

Not available

Direct Parent

Delta valerolactones

Alternative Parents

Chlorobenzenes Pyrans Oxanes Gamma butyrolactones Aryl chlorides Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Chlorobenzene - Delta valerolactone - Halobenzene - Delta_valerolactone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Pyran - Oxane - Oxolane - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

External Descriptors

Not available

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