Compound Identification
SMILES
CC1CCCC2=C1C=C(N)C1=CC=CC=C21.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=UFFUDIXODKBZHY-UHFFFAOYSA-N
Formula
C21H20N4O7
Mass
440.412
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Hydrophenanthrenes
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Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Hydrophenanthrenes
Intermediate Tree Nodes
Not available
Direct Parent
Hydrophenanthrenes
Alternative Parents
Tetralins Nitrophenols Naphthalenes Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Hydrophenanthrene - Naphthalene - Nitrophenol - Tetralin - Nitrobenzene - Nitroaromatic compound - Phenol - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation.
External Descriptors
Not available