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Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C1=C(C=CC(=C1)[N+]([O-])=O)C(=O)OC[C@H]1CCC[NH+]2CCCC[C@@H]12

InChIKey

InChIKey=NTGMXMKDDRWXQC-WBMJQRKESA-N

Formula

C18H22N2O6

Mass

362.382

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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 - Lupinine - Benzoate ester - Quinolizidine - Quinolizine - Benzoic acid - Alkaloid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Piperidine - Quaternary ammonium salt - Organic nitro compound - Carboxylic acid ester - Tertiary aliphatic amine - Carboxylic acid salt - C-nitro compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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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