Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)C(=O)NC1CCCC2=C1C1=CC=CC=C1C=C2
InChIKey
InChIKey=DTOYLQOOLLUMIS-UHFFFAOYSA-N
Formula
C21H16ClN3O5
Mass
425.83
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 4-halobenzoic acids and derivatives Naphthalenes Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hydrophenanthrene - Naphthalene - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Tetralin - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - 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