[nitro(phenyl)methyl] 3-oxidanyl-5-(pyridin-4-ylsulfanylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: [nitro(phenyl)methyl] 3-oxidanyl-5-(pyridin-4-ylsulfanylmethyl)pyrrolidine-3-carboxylate Openeye Name: [nitro(phenyl)methyl] 3-hydroxy-5-(4-pyridylsulfanylmethyl)pyrrolidine-3-carboxylate CAS Name: 3-hydroxy-5-[(pyridin-4-ylthio)methyl]-3-pyrrolidinecarboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 3-hydroxy-5-(pyridin-4-ylsulfanylmethyl)pyrrolidine-3-carboxylate Traditional Name: 3-hydroxy-5-[(4-pyridylthio)methyl]pyrrolidine-3-carboxylic acid [nitro(phenyl)methyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC1(C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])O)CSC3=CC=NC=C3

Isomeric SMILES

C1C(NCC1(C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])O)CSC3=CC=NC=C3

InChI

InChI=1S/C18H19N3O5S/c22-17(26-16(21(24)25)13-4-2-1-3-5-13)18(23)10-14(20-12-18)11-27-15-6-8-19-9-7-15/h1-9,14,16,20,23H,10-12H2