Compound Identification
SMILES
COC1=CC2=C3C4=C(OCO4)C=C(C(O)=O)C3=C(C=C2C=C1)[N+]([O-])=O
InChIKey
InChIKey=MYVJZUBEKPWUFP-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
-
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 Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives 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 - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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