[2-(dimethylcarbamoyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: [2-(dimethylcarbamoyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Openeye Name: [2-(dimethylcarbamoyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate CAS Name: 3-mercapto-1-pyrrolidinecarboxylic acid [2-[dimethylamino(oxo)methyl]-4-nitrophenyl]methyl ester IUPAC Name: [2-(dimethylcarbamoyl)-4-nitrophenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-mercaptopyrrolidine-1-carboxylic acid [2-(dimethylcarbamoyl)-4-nitro-benzyl] ester Formula: C15H19N3O5S MolecularWeight: 353.39346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCC(C2)S

Isomeric SMILES

CN(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCC(C2)S

InChI

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