Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(\N=C\N(C)C)C2=CC=CC=C2C(CC2=CN=C(Cl)C=C2)=C1

InChIKey

InChIKey=KBMWZNMXRVDPSK-ZMOGYAJESA-N

Formula

C21H20ClN3O2

Mass

381.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalenecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Naphthalenecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-naphthalenecarboxylic acid - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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