Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC[N+](C)(C)C
InChIKey
InChIKey=JXUOFXBSKGTXOG-LJQANCHMSA-O
Formula
C21H28N3O6
Mass
418.469
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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
Acyl cholines Nitroaromatic compounds Dihydropyridines Dicarboxylic acids and derivatives Vinylogous amides Tetraalkylammonium salts Methyl esters Enoate esters Organic oxoazanium compounds Azacyclic compounds Dialkylamines Enamines Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acyl choline - Nitrobenzene - Nitroaromatic compound - Choline - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Tetraalkylammonium salt - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Quaternary ammonium salt - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Enamine - Organoheterocyclic compound - Organic oxoazanium - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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