Compound Identification
SMILES
[O-][N+]([O-])=O.COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(=O)OCC1=NC(CO[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=XSBFGEATQPOQHM-UQKRIMTDSA-N
Formula
C21H20N3O9
Mass
458.404
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Anisoles Alkyl aryl ethers Pyridines and derivatives Alkyl nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthalene - Anisole - Phenol ether - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Organic nitrate - Alkyl nitrate - Carboxylic acid ester - Organic nitro compound - Organic nitric acid - Organic nitric acid or derivatives - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors
Not available