Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OC(=O)C2=CC=CC3=CC=CC=C23)C(Br)=CC(C=C(C#N)C(=O)NC2=CC=CC=C2[N+]([O-])=O)=C1

InChIKey

InChIKey=OCBMCTZTLZZILG-UHFFFAOYSA-N

Formula

C29H20BrN3O6

Mass

586.398

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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 and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

1-naphthalenecarboxylic acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Phenol ester - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - N-arylamide - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at 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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