Structure Information
Structure

Compound Identification

SMILES

CCCCCC[C@@H](C)OC1=CC=C(C=C1)C1=CN=C(OC(=O)C2=CC(=C(O[C@H](C)CCCCCC)C=C2N)[N+]([O-])=O)C=N1

InChIKey

InChIKey=CPZRZWVBNIMWRI-DNQXCXABSA-N

Formula

C33H44N4O6

Mass

592.737

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzoate - Nitrophenyl ether - Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Pyrazine - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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