Structure Information
Structure

Compound Identification

SMILES

CC[C@@H](NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)[C@H](OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=UMVOUMVKZSBXPC-CVEARBPZSA-N

Formula

C19H15N5O13

Mass

521.351

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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 homomonocyclic compounds

Substituents

Nitrobenzoate - Beta amino acid or derivatives - Benzoate ester - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monosaccharide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organooxygen compound - Organic salt - Organonitrogen compound - Aromatic homomonocyclic 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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