Compound Identification
SMILES
[O-][N+]([O-])=O.COC1=CC2=C(NC=C2CC2=NCC[NH2+]2)C=C1
InChIKey
InChIKey=HKTWCBXIDJDYAU-UHFFFAOYSA-O
Formula
C13H16N4O4
Mass
292.295
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indoles
- Level 5 3-alkylindoles
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Subclass
Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
3-alkylindoles
Alternative Parents
Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Imidazolines Organic nitrates Organic nitro compounds Organic nitric acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Anisole - Alkyl aryl ether - Substituted pyrrole - Benzenoid - 2-imidazoline - Organic nitrate - Pyrrole - Heteroaromatic compound - Organic nitro compound - Organic nitric acid - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid amidine - Carboximidamide - Ether - Amidine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available