Structure Information
Structure

Compound Identification

SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C1=C(C)C(C(C)=O)=C(C)N1)[N+]([O-])=O

InChIKey

InChIKey=APWNCMTYTZHGJS-UHFFFAOYSA-N

Formula

C18H19N3O6

Mass

373.365

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 heteromonocyclic compounds

Substituents

Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Aryl ketone - Secondary aliphatic/aromatic amine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Secondary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organonitrogen compound - Organooxygen compound - 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

Previous Back Next