Compound Identification
SMILES
CC1(C)CC(CC(C)(C)N1)NC1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=MPTVQERPBLMCGU-UHFFFAOYSA-N
Formula
C16H21F3N4O4
Mass
390.363
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
-
Subclass
Aniline and substituted anilines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Dinitroanilines
Alternative Parents
Trifluoromethylbenzenes Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Aminopiperidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Organofluorides Hydrocarbon derivatives Organic zwitterions Organic oxides Alkyl fluorides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dinitroaniline - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - 4-aminopiperidine - Secondary aliphatic/aromatic amine - Piperidine - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Azacycle - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Amine - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors
Not available