[nitro(phenyl)methyl] 1-(dimethylcarbamoyl)-3-sulfanyl-pyrrolidine-3-carboxylate

Systemtic Name: [nitro(phenyl)methyl] 1-(dimethylcarbamoyl)-3-sulfanyl-pyrrolidine-3-carboxylate Openeye Name: [nitro(phenyl)methyl] 1-(dimethylcarbamoyl)-3-sulfanyl-pyrrolidine-3-carboxylate CAS Name: 1-[dimethylamino(oxo)methyl]-3-mercapto-3-pyrrolidinecarboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 1-(dimethylcarbamoyl)-3-sulfanylpyrrolidine-3-carboxylate Traditional Name: 1-(dimethylcarbamoyl)-3-mercapto-pyrrolidine-3-carboxylic acid [nitro(phenyl)methyl] ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCC(C1)(C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])S

Isomeric SMILES

CN(C)C(=O)N1CCC(C1)(C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])S

InChI

InChI=1S/C15H19N3O5S/c1-16(2)14(20)17-9-8-15(24,10-17)13(19)23-12(18(21)22)11-6-4-3-5-7-11/h3-7,12,24H,8-10H2,1-2H3