Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C(=O)COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C(C)N1CC1CCCO1

InChIKey

InChIKey=NNBQMZJIIBZYRP-UHFFFAOYSA-N

Formula

C20H22N2O6

Mass

386.404

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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 - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Substituted pyrrole - Heteroaromatic compound - Oxolane - Vinylogous amide - Pyrrole - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Aldehyde - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - 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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