Compound Identification
SMILES
CCOC(=O)C1C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OC)=C(C)N2CC(C)OC12C
InChIKey
InChIKey=RIOXXGSSBDSGMG-UHFFFAOYSA-N
Formula
C21H26N2O7
Mass
418.446
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
Nitroaromatic compounds Tetrahydropyridines Dicarboxylic acids and derivatives Vinylogous amides Oxazolidines Enoate esters Methyl esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Enamines Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Tetrahydropyridine - Dicarboxylic acid or derivatives - Oxazolidine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Enamine - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic salt - Aromatic heteropolycyclic 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