Compound Identification
SMILES
NC1=C(NC(=O)C2=CC=C(CNC(=O)NCC3=CC=C(C=C3)[N+]([O-])=O)C=C2)C=CC=N1
InChIKey
InChIKey=FOUODFFMRVBWAC-UHFFFAOYSA-N
Formula
C21H20N6O4
Mass
420.429
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 Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Amino acids and derivatives Ureas Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Urea - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organic salt - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Organic oxide - 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