Compound Identification
SMILES
CC1=CC=CC(C(=O)N2CCCN(CC3=CC=C(C=C3)C(F)(F)F)CC2)=C1[N+]([O-])=O
InChIKey
InChIKey=KCHXDXPEGFYCBB-UHFFFAOYSA-N
Formula
C21H22F3N3O3
Mass
421.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Toluamides
-
Level 6
m-Toluamides
- Level 7 N,N-dialkyl-m-toluamides
-
Level 6
m-Toluamides
-
Level 5
Toluamides
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Toluamides - m-Toluamides
Direct Parent
N,N-dialkyl-m-toluamides
Alternative Parents
Trifluoromethylbenzenes Benzamides Nitrobenzenes Nitrotoluenes Phenylmethylamines Benzoyl derivatives Benzylamines Nitroaromatic compounds Aralkylamines 1,4-diazepanes Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organooxygen compounds Organofluorides Organic salts Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-dialkyl-m-toluamide - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Benzylamine - Phenylmethylamine - 1,4-diazepane - Diazepane - Aralkylamine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Alkyl halide - Alkyl fluoride - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
External Descriptors
Not available