Compound Identification
SMILES
COC1=CC=CC2=C3C(O)=C(O)C=C(C(O)=O)C3=C(C(Cl)=C12)[N+]([O-])=O
InChIKey
InChIKey=VCNGTVPMEVKOFO-UHFFFAOYSA-N
Formula
C16H10ClNO7
Mass
363.71
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 Nitronaphthalenes Chloronaphthalenes Naphthols and derivatives Hydroxybenzoic acid derivatives Anisoles Nitroaromatic compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic salts Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aristolochic acid or derivatives - Phenanthrol - 2-nitronaphthalene - 1-nitronaphthalene - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - Chloronaphthalene - 1-naphthol - 2-naphthol - Dihydroxybenzoic acid - Naphthalene - Hydroxybenzoic acid - Anisole - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl chloride - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic cation - 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