Structure Information
Structure

Compound Identification

SMILES

CN(C)[C@H](CNC=C1C=C(Cl)C=C(C1=O)[N+]([O-])=O)C1=CC=CC=C1

InChIKey

InChIKey=NIGYTLDPEHRFSM-MRXNPFEDSA-N

Formula

C17H18ClN3O3

Mass

347.8

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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 - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

O-quinomethane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - C-nitro compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Secondary aliphatic amine - Enamine - Allylamine - Organic oxoazanium - Secondary amine - Chloroalkene - Vinyl chloride - Vinyl halide - Haloalkene - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organic zwitterion - Amine - Organochloride - Organonitrogen compound - Organic salt - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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