Compound Identification
SMILES
COP(O)(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCCCCC(O)=O
InChIKey
InChIKey=YNQGHSBBSIFECC-UHFFFAOYSA-N
Formula
C21H27N2O9P
Mass
482.426
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
Medium-chain fatty acids Nitroaromatic compounds Dihydropyridines Phosphonic acid esters Dicarboxylic acids and derivatives Organic phosphonic acids Vinylogous amides Enoate esters Carboxylic acids Organic oxoazanium compounds Dialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Organophosphorus compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Medium-chain fatty acid - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Phosphonic acid ester - Fatty acyl - Organophosphonic acid - Organophosphonic acid derivative - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Secondary aliphatic amine - Enamine - Organic oxoazanium - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus 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