Structure Information
Structure

Compound Identification

SMILES

C[C@H](OC(=O)C1=C(NCCO)C=CC(=C1)[N+]([O-])=O)C(=O)N1[C@@H](C)CC2=CC=CC=C12

InChIKey

InChIKey=MZOHZCXMIJYAAW-KBPBESRZSA-N

Formula

C21H23N3O6

Mass

413.43

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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 - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Indole or derivatives - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Benzoyl - Secondary aliphatic/aromatic amine - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - C-nitro compound - 1,2-aminoalcohol - Organic nitro compound - Alkanolamine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic salt - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - 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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