(4-nitrophenyl)methyl 2-[1,2-bis(oxidanylidene)pyrrolidin-1-ium-3-yl]-5-methyl-3-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[1,2-bis(oxidanylidene)pyrrolidin-1-ium-3-yl]-5-methyl-3-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1,2-dioxopyrrolidin-1-ium-3-yl)-5-methyl-3-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(1,2-dioxo-3-pyrrolidin-1-iumyl)-3-mercapto-5-methyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1,2-dioxopyrrolidin-1-ium-3-yl)-5-methyl-3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(1,2-diketopyrrolidin-1-ium-3-yl)-3-mercapto-5-methyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N3O6S+ MolecularWeight: 394.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC[N+](=O)C3=O)S

Isomeric SMILES

CC1CC(C(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC[N+](=O)C3=O)S

InChI

InChI=1S/C17H19N3O6S/c1-10-8-14(27)15(13-6-7-18(23)16(13)21)19(10)17(22)26-9-11-2-4-12(5-3-11)20(24)25/h2-5,10,13-15H,6-9H2,1H3/p+1