Compound Identification
SMILES
CC1=CC(=CC=C1)N1C=CC=C1C=NNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=HVTBEAGXXNQZJQ-UHFFFAOYSA-N
Formula
C21H16N4O3S
Mass
404.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
-
Subclass
Substituted pyrroles
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
1-benzothiophenes Thiophene carboxamides 2,3,5-trisubstituted thiophenes Nitroaromatic compounds Toluenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic oxides Organooxygen compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - 1-benzothiophene - Benzothiophene - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available