Compound Identification
SMILES
COC1=CC=CC2=C1OC(=C2)C(=O)C1=C(O)C(=O)N(C1C1=CC=C(C=C1)[N+]([O-])=O)C1=NC(C)=C(S1)C(=O)OCC=C
InChIKey
InChIKey=ODIGIBDIBQZNIH-UHFFFAOYSA-N
Formula
C28H21N3O9S
Mass
575.55
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
Benzofurans Nitrobenzenes Thiazolecarboxylic acids and derivatives Pyrroline carboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Anisoles Aryl ketones Nitroaromatic compounds Alkyl aryl ethers Vinylogous acids Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Carboxylic acid esters Lactams Organic oxoazanium compounds Enols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzofuran - Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Nitroaromatic compound - Phenol ether - Pyrroline carboxylic acid or derivatives - Thiazolecarboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Furan - Pyrrole - Azole - Tertiary carboxylic acid amide - Thiazole - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Carboxylic acid derivative - Enol - Ether - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic 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