Structure Information
Structure

Compound Identification

SMILES

CC(OC(=O)C1=CC(=C(NCCO)C=C1)[N+]([O-])=O)C(=O)N1CCCC2=CC=CC=C12

InChIKey

InChIKey=LTETVOLGPPBCPZ-UHFFFAOYSA-N

Formula

C21H23N3O6

Mass

413.43

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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 heteropolycyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Tetrahydroquinoline - Aminobenzoic acid or derivatives - Nitrobenzene - Benzoyl - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Tertiary carboxylic acid amide - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Alkanolamine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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

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