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
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 Nitronaphthalenes Naphthalenecarboxylic acids Naphthols and derivatives Benzodioxoles Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
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