Compound Identification
SMILES
CC1=C(C2=NCCN2)C2=C(N1)C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=VMBSRFPBDLOSNC-UHFFFAOYSA-N
Formula
C12H12N4O2
Mass
244.254
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Indoles
-
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
Indoles
Alternative Parents
Nitroaromatic compounds Substituted pyrroles Benzenoids Imidolactams Heteroaromatic compounds Imidazolines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Carboximidamides Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Nitroaromatic compound - Substituted pyrrole - Benzenoid - Imidolactam - 2-imidazoline - Pyrrole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid amidine - Carboximidamide - Amidine - Organic oxoazanium - Amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available