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Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC(O)=C(O)C2=C1C(=C(Cl)C1=CC=CC=C21)[N+]([O-])=O

InChIKey

InChIKey=KNXDMFACKQCJPS-UHFFFAOYSA-N

Formula

C15H8ClNO6

Mass

333.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenanthrenes and derivatives

Subclass

Aristolochic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Aristolochic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Aristolochic acid or derivatives - Phenanthrol - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - 1-nitronaphthalene - 2-nitronaphthalene - Chloronaphthalene - 2-naphthol - 1-naphthol - Dihydroxybenzoic acid - Naphthalene - Hydroxybenzoic acid - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as aristolochic acids and derivatives. These are organic heterocyclic compounds with a structure characterized by a nitrophenanthro[3,4-d][1,3]dioxole ring system substituted at position 5, 6, and 8 by a carboxyl group (or a derivative thereof), a nitro group, and a methoxy group, respectively.

External Descriptors

Not available

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