Compound Identification
SMILES
[2H]C([2H])([2H])OC(=O)C1=C(NC(=C(C(=O)OC([2H])([2H])[2H])C1([2H])C1=CC=CC=C1[N+]([O-])=O)C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIKey
InChIKey=HYIMSNHJOBLJNT-OWNUJEFMSA-N
Formula
C17H18N2O6
Mass
359.418
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 Dihydropyridines Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Dialkylamines Enamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Dicarboxylic acid or derivatives - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Enamine - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Organic salt - 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