Compound Identification
SMILES
COC([O-])=C1C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OC(C)C)=C(C)N=C1C1C(C#N)=C(C)NC(C)=C1C#[NH+]
InChIKey
InChIKey=JSRDJLPODBAFQQ-UHFFFAOYSA-N
Formula
C27H27N5O6
Mass
517.542
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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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 Enoate esters Amino acids and derivatives Ketene acetals Ketimines Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Enamines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Hydropyridine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - C-nitro compound - Carboxylic acid ester - Ketimine - Organic nitro compound - Ketene acetal or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Enamine - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Secondary aliphatic amine - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Imine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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