Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)CC1=NC2=NN=C(N)N2NC1=O

InChIKey

InChIKey=CRMIKQVHCCXJPP-UHFFFAOYSA-N

Formula

C13H12N6O3

Mass

300.278

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - 1,2,4-triazine - Triazine - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Lactam - Azacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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