Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C3C(O)=C(O)C=C(C(O)=O)C3=C(C(Cl)=C12)[N+]([O-])=O

InChIKey

InChIKey=VCNGTVPMEVKOFO-UHFFFAOYSA-N

Formula

C16H10ClNO7

Mass

363.71

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