Structure Information
Structure

Compound Identification

SMILES

CCN(C(=O)COC(=O)C1=CC(=C(C=C1)N1C=CN=C1)[N+]([O-])=O)C1=CC=CC2=CC=CC=C12

InChIKey

InChIKey=MKHRSRWWUCAENS-UHFFFAOYSA-N

Formula

C24H20N4O5

Mass

444.447

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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 - 1-phenylimidazole - Benzoate ester - Naphthalene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Imidazolyl carboxylic acid derivative - N-substituted imidazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Imidazole - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - 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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