Structure Information
Structure

Compound Identification

SMILES

OB(O)C1=CC(=CC(=C1)[N+]([O-])=O)C(=O)OCC1=CC=CC=C1COC(=O)C1=CC(=CC(=C1)B(O)O)[N+]([O-])=O

InChIKey

InChIKey=YNGFYVBGKRZQPV-UHFFFAOYSA-N

Formula

C22H18B2N2O12

Mass

524.01

Export to:

JSON SDF CSV

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 - Benzoate ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Benzoyl - Boronic acid derivative - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Boronic acid - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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

Previous Back Next