Compound Identification
SMILES
[Br-].CCC1(C\C(=N\NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C(=O)OC)CCC[N+]2=C1C1=C(CC2)C2=CC=CC=C2N1
InChIKey
InChIKey=BUTGHXUILCEQCZ-UHFFFAOYSA-N
Formula
C27H29BrN6O6
Mass
613.469
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Pyridoindoles
- Level 5 Beta carbolines
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Subclass
Pyridoindoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyridoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Beta carbolines
Alternative Parents
3-alkylindoles Quinolizines Nitrobenzenes Nitroaromatic compounds Phenylhydrazines Tetrahydropyridines Fatty acid esters Pyrroles Methyl esters Heteroaromatic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrazones Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - Quinolizine - 3-alkylindole - Indole - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Fatty acid ester - Tetrahydropyridine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Hydrazone - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic nitrogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic bromide salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
External Descriptors
Not available