Structure Information
Structure

Compound Identification

SMILES

C[C@@H](OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)[C@H]1C2CC(=O)CC(C2OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)N1C(C)=O

InChIKey

InChIKey=MDGJTLDDWMOQKD-QZTQEAHGSA-N

Formula

C25H23N3O10

Mass

525.47

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 heteropolycyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - N-acylpyrrolidine - Benzoyl - Fatty acid ester - Azepane - Fatty acyl - Dicarboxylic acid or derivatives - Acetamide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Pyrrolidine - Organic nitro compound - Cyclic ketone - C-nitro compound - Ketone - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - 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

Previous Back Next