Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=C(NN=C2CC3CC(COC(=O)C4=CC(=CC(=C4)[N+]([O-])=O)[N+]([O-])=O)C2C3)C=C1)[N+]([O-])=O

InChIKey

InChIKey=BHKHKIINPAVRMP-UHFFFAOYSA-N

Formula

C21H18N6O10

Mass

514.407

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 homopolycyclic compounds

Substituents

Nitrobenzoate - Aromatic monoterpenoid - Benzoate ester - Bicyclic monoterpenoid - Norbornane monoterpenoid - Monoterpenoid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylhydrazine - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic 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