Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(C(N2C(=O)C3=CC=CC=C3C2=O)=C(Cl)C=C1C(=O)OC)[N+]([O-])=O

InChIKey

InChIKey=AUHHDOHRGABCEF-UHFFFAOYSA-N

Formula

C18H13ClN2O7

Mass

404.76

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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 - Phthalimide - Nitrophenyl ether - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Isoindolone - Benzoate ester - Nitrobenzene - Isoindole or derivatives - Isoindole - Isoindoline - Benzoyl - Phenol ether - Nitroaromatic compound - Phenoxy compound - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Carboxylic acid imide, n-substituted - Aryl halide - Methyl ester - Carboxylic acid imide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Organic oxoazanium - Ether - Azacycle - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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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