Structure Information
Structure

Compound Identification

SMILES

CN(N=O)C(=O)NC1O[C@H](COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C2OC(C)(C)OC12

InChIKey

InChIKey=IUISBWYEEASLMJ-NTXGFPLRSA-N

Formula

C17H20N4O9

Mass

424.366

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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 - Benzoate ester - Nitrobenzene - Benzoyl - Nitroaromatic compound - N-methylnitrosourea - Ketal - Monosaccharide - Nitrosourea - Meta-dioxolane - Semicarbazide - Tetrahydrofuran - Nitrosamide - Organic nitro compound - Organic n-nitroso compound - Carbonic acid derivative - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Acetal - Organoheterocyclic compound - Organic oxoazanium - Organic nitroso compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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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