Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C#N)=C(CC(=O)C(=CC2=C(N(C(=C2)C2=CC=CC=C2)C2=CC=C(C=C2)[N+]([O-])=O)C2=CC=CC=C2)C#N)S1
InChIKey
InChIKey=RWGISTQVOKLUHQ-UHFFFAOYSA-N
Formula
C36H26N4O5S
Mass
626.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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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
Nitrobenzenes Thiophene carboxylic acids and derivatives Nitroaromatic compounds Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Heteroaromatic compounds Carboxylic acid esters Ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrole - 1-phenylpyrrole - Nitrobenzene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Enone - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic salt - Organic cation - Aromatic heteromonocyclic 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