Compound Identification
SMILES
COC(=O)C1[C@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCC[NH+]2CC[NH+](C)CC2)=C(C)N=C1C
InChIKey
InChIKey=QNADNSKTHDQUIO-QWAKEFERSA-P
Formula
C23H32N4O6
Mass
460.53
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 N-methylpiperazines Dicarboxylic acids and derivatives Quaternary ammonium salts Enoate esters Methyl esters Ketimines Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxoazanium compounds Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dihydropyridine - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydropyridine - Piperazine - Quaternary ammonium salt - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Ketimine - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen 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