Compound Identification
SMILES
CCOC(=O)C1=C(C)N2CCCO[C@@]2(C)[C@@H]([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC
InChIKey
InChIKey=VYJIGLZLCDRKOF-WFXMLNOXSA-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 1,3-oxazinanes Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Enamines Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Tetrahydropyridine - 1,3-oxazinane - Dicarboxylic acid or derivatives - Oxazinane - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Enamine - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Organic oxide - Amine - Hydrocarbon derivative - 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