Compound Identification
SMILES
COC1=C(OC)C=C2[C@@H]([C@H](CCC2=C1)[N+]([O-])=O)C1=C(SC(CC(C)C)=C1)C(=O)NC(C)(C)C
InChIKey
InChIKey=WJWPBHMHCWKBQO-SIKLNZKXSA-N
Formula
C25H34N2O5S
Mass
474.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Nitronaphthalenes
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Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Nitronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitronaphthalenes
Alternative Parents
Tetralins Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Anisoles Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-nitronaphthalene - Tetralin - Anisole - 2-heteroaryl carboxamide - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
External Descriptors
Not available