Compound Identification
SMILES
COC(=O)C1=CC(O)=C(OC)C2=C3C=CC=C(OC)C3=CC(=C12)[N+]([O-])=O
InChIKey
InChIKey=IBMRJTDZJONBHH-UHFFFAOYSA-N
Formula
C18H15NO7
Mass
357.318
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Aristolochic acids and derivatives
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Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
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
Phenanthrols Naphthalenecarboxylic acids and derivatives Nitronaphthalenes P-methoxybenzoic acids and derivatives Naphthols and derivatives Anisoles Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Methyl esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aristolochic acid or derivatives - Phenanthrol - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - 2-naphthol - P-methoxybenzoic acid or derivatives - Naphthalene - Anisole - Phenol ether - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - 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