Structure Information
Structure

Compound Identification

SMILES

NC(=[NH+]OC(=O)C1=CC(=CC=C1)[N+]([O-])=O)C1=CN=CC=C1

InChIKey

InChIKey=BXAKWSCCJKJEGP-UHFFFAOYSA-O

Formula

C13H11N4O4

Mass

287.254

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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 heteromonocyclic compounds

Substituents

Nitrobenzoate - Nitrobenzene - Benzoyl - Nitroaromatic compound - Pyridine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Amidine - Carboxylic acid amidine - Carboximidamide - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic 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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