Compound Identification
SMILES
[Na+].COC1=C(OC)C2=CC(=C3C(=CC4=C(OCO4)C3=C2C=C1)C([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=FPGSIDYJUJXXAC-UHFFFAOYSA-M
Formula
C18H12NNaO8
Mass
393.283
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
Naphthalenecarboxylic acids Nitronaphthalenes Benzodioxoles Anisoles Nitroaromatic compounds Alkyl aryl ethers Carboxylic acid salts Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic sodium salts Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aristolochic acid or derivatives - 1-naphthalenecarboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - Naphthalene - Benzodioxole - Nitroaromatic compound - Anisole - Alkyl aryl ether - Carboxylic acid salt - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - 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