Compound Identification
SMILES
COC(=O)C1=CC2=C(OCO2)C2=C3C=CC=C(O)C3=CC(=C12)[N+]([O-])=O
InChIKey
InChIKey=MUTBBTONMCXTLD-UHFFFAOYSA-N
Formula
C17H11NO7
Mass
341.275
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 Naphthols and derivatives Benzodioxoles Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Methyl esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Acetals Oxacyclic compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aristolochic acid or derivatives - Phenanthrol - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - 1-naphthol - Naphthalene - Benzodioxole - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen 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