Compound Identification
SMILES
CCN(CC)CCN1C(C(C(=O)C2=CC=CS2)=C(O)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DWUOPYLISZIGOV-UHFFFAOYSA-N
Formula
C21H23N3O5S
Mass
429.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Nitrobenzenes Pyrroline carboxylic acids and derivatives Aryl ketones Nitroaromatic compounds Vinylogous acids Thiophenes Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enols Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Nitrobenzene - Nitroaromatic compound - Pyrroline carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous acid - Thiophene - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - C-nitro compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Enol - Organic oxoazanium - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available