Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCC(CC1)NC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O

InChIKey

InChIKey=ANDRFDFWUWTKKC-UHFFFAOYSA-N

Formula

C22H24N6O6

Mass

468.47

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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 - Quinazolinamine - Aminobenzoic acid - Quinazoline - Aminobenzoic acid or derivatives - Nitrobenzene - Benzoic acid - Phenol ether - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - 4-aminopiperidine - Aminopyrimidine - Pyrimidine - Piperidine - Imidolactam - Heteroaromatic compound - Amino acid - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic salt - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - 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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