Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N1CCC2(C1)CCN(CC2)C(=O)NC1=CC=CC=C1OC)[N+]([O-])=O

InChIKey

InChIKey=RBLVPPMJYFYNCI-UHFFFAOYSA-N

Formula

C25H28N4O7

Mass

496.52

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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 heteropolycyclic compounds

Substituents

Nitrobenzoate - N-phenylurea - Azaspirodecane - Benzoate ester - Piperidinecarboxamide - 1-piperidinecarboxamide - Nitrobenzene - Benzamide - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Benzoyl - Anisole - Phenol ether - N-acylpyrrolidine - Alkyl aryl ether - Piperidine - Methyl ester - Pyrrolidine - Tertiary carboxylic acid amide - Organic nitro compound - C-nitro compound - Urea - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic 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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