Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC(=O)C1=C(C)NC(C)=C(C#N)C1C1=C(OC(F)F)C=CC([NH3+])=C1

InChIKey

InChIKey=IUSLOSUMLQYKDD-UHFFFAOYSA-N

Formula

C17H18ClF2N3O3

Mass

385.8

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol ethers

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenol ether - Phenoxy compound - Aniline or substituted anilines - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Cyanide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Alkyl fluoride - Organic oxygen compound - Organic chloride salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

External Descriptors

Not available

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