(4-nitrophenyl)methoxycarbonyl 1-[(4-nitrophenyl)methyl]-4-sulfanyl-pyrrolidine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methoxycarbonyl 1-[(4-nitrophenyl)methyl]-4-sulfanyl-pyrrolidine-2-carboxylate Openeye Name: (4-nitrophenyl)methoxycarbonyl 1-[(4-nitrophenyl)methyl]-4-sulfanyl-pyrrolidine-2-carboxylate CAS Name: 4-mercapto-1-[(4-nitrophenyl)methyl]-2-pyrrolidinecarboxylic acid [(4-nitrophenyl)methoxy-oxomethyl] ester IUPAC Name: (4-nitrophenyl)methoxycarbonyl 1-[(4-nitrophenyl)methyl]-4-sulfanylpyrrolidine-2-carboxylate Traditional Name: 4-mercapto-1-(4-nitrobenzyl)pyrrolidine-2-carboxylic acid (4-nitrobenzyl)oxycarbonyl ester Formula: C20H19N3O8S MolecularWeight: 461.44516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(=O)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C20H19N3O8S/c24-19(31-20(25)30-12-14-3-7-16(8-4-14)23(28)29)18-9-17(32)11-21(18)10-13-1-5-15(6-2-13)22(26)27/h1-8,17-18,32H,9-12H2