Structure Information
Structure

Compound Identification

SMILES

CC1OC(C)(C)C2=C1C(=CC=C2)N=C(O)C1=C(Cl)N(C)N=C1C

InChIKey

InChIKey=NRTLIYOWLVMQBO-UHFFFAOYSA-N

Formula

C17H20ClN3O2

Mass

333.82

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isocoumarans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isocoumaran - Aryl chloride - Aryl halide - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.

External Descriptors

CHEBI:83118 : pyrazoles - organochlorine compound - 1-benzofurans - aromatic amide
KEGG (C18503) : Amide fungicides

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