Compound Identification
SMILES
CC1=CC(=NO1)N1C(C(C(=O)C2=CC=CS2)=C(O)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=RVOXZZNFFSKDNA-UHFFFAOYSA-N
Formula
C19H13N3O6S
Mass
411.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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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 Imidolactams Vinylogous acids Thiophenes Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Isoxazoles Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enols Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Nitrobenzene - Nitroaromatic compound - Pyrroline carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Imidolactam - Azole - Isoxazole - Pyrrole - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Vinylogous acid - Organic nitro compound - Carboxamide group - Ketone - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Enol - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - 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