Compound Identification
SMILES
CC1(C)O[C@H]2O[C@H](C(O)CN(CC(O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)CC(O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3NC3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)[C@H](O)[C@H]2O1
InChIKey
InChIKey=INEXGVIWXUFFLU-NJRLEYDDSA-N
Formula
C33H48N4O18
Mass
788.757
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
Nitrobenzenes Nitroaromatic compounds Phenylalkylamines Ketals Secondary alkylarylamines Monosaccharides 1,3-dioxolanes 1,3-aminoalcohols Oxolanes Secondary alcohols 1,2-aminoalcohols Trialkylamines Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Ketal - Secondary aliphatic/aromatic amine - Monosaccharide - 1,3-aminoalcohol - Meta-dioxolane - Oxolane - 1,2-aminoalcohol - C-nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Oxacycle - Secondary amine - Acetal - Organonitrogen compound - Organic salt - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organopnictogen compound - Alcohol - Organic zwitterion - Aromatic heteropolycyclic 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