Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)OC(N)=C(C#N)C1C1=CC(OC)=C(OCC2=CC=CC=C2C#N)C(I)=C1

InChIKey

InChIKey=HNOKQLBFXCESCM-UHFFFAOYSA-N

Formula

C25H22IN3O5

Mass

571.371

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Pyran - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Primary aliphatic amine - Organohalogen compound - Organic nitrogen compound - Organoiodide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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