Compound Identification
SMILES
COC1=C(C)C=C(C=C1)C([O-])=C1[C@H](N(C2=NC3=C(S2)C=C(C)C=C3)C(=O)C1=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=JZCWFGBQCFVYJA-HSZRJFAPSA-M
Formula
C27H20N3O6S
Mass
514.53
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Benzothiazoles Nitrobenzenes Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Toluenes Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Pyrroles Tertiary amines Lactams Cyclic ketones Amino acids and derivatives Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - 1,3-benzothiazole - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - 3-pyrrolidone - Azole - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Thiazole - Cyclic ketone - Amino acid or derivatives - Organic nitro compound - Tertiary amine - Carboxamide group - Ketone - Lactam - C-nitro compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organonitrogen compound - Organic oxygen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available