Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C(O)=O)C(NC2=CC3=C(CN(C3)C3=CC(Cl)=C(Cl)C=C3)C=C2)=C1)[N+]([O-])=O

InChIKey

InChIKey=BSGSZHGXTXQUJB-UHFFFAOYSA-N

Formula

C22H17Cl2N3O5

Mass

474.29

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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 - Nitrophenyl ether - P-methoxybenzoic acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - Aminophenyl ether - Benzoic acid - Isoindoline - Isoindole - Isoindole or derivatives - Nitrobenzene - Methoxyaniline - Phenoxy compound - Anisole - Nitroaromatic compound - Benzoyl - 1,2-dichlorobenzene - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Chlorobenzene - Aralkylamine - Alkyl aryl ether - Halobenzene - Aryl halide - Primary aromatic amine - Aryl chloride - Vinylogous amide - Amino acid or derivatives - Tertiary amine - Organic nitro compound - Amino acid - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - 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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