Compound Identification
SMILES
O[C@H](CNC(=O)C1=CC=C(OCC2=CN=CC=C2)C=C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=FDJXPUXNCNSJLK-HXUWFJFHSA-N
Formula
C21H19N3O5
Mass
393.399
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzamides Benzoyl derivatives Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available