Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC2=C(OCO2)C2=C3C=C(O)C=CC3=CC(=C12)[N+]([O-])=O

InChIKey

InChIKey=NBFGYDJKTHENDP-UHFFFAOYSA-N

Formula

C16H9NO7

Mass

327.248

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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 heteropolycyclic compounds

Substituents

Aristolochic acid or derivatives - Phenanthrol - 1-naphthalenecarboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - 2-naphthol - Naphthalene - Benzodioxole - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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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