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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(OC)=C(OC)C2=C3C=CC=C(OC)C3=CC(=C12)[N+]([O-])=O

InChIKey

InChIKey=NPCMWYJIIQNJFR-UHFFFAOYSA-N

Formula

C19H17NO7

Mass

371.345

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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 - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Naphthalene - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - 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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