(phenylmethyl) (2S,4R)-2-[2-[(5-nitropyridin-2-yl)amino]ethylcarbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,4R)-2-[2-[(5-nitropyridin-2-yl)amino]ethylcarbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,4R)-4-hydroxy-2-[2-[(5-nitro-2-pyridyl)amino]ethylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-hydroxy-2-[[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4R)-4-hydroxy-2-[2-[(5-nitropyridin-2-yl)amino]ethylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-hydroxy-2-[2-[(5-nitro-2-pyridyl)amino]ethylcarbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C1[C@H](CN([C@@H]1C(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H23N5O6/c26-16-10-17(24(12-16)20(28)31-13-14-4-2-1-3-5-14)19(27)22-9-8-21-18-7-6-15(11-23-18)25(29)30/h1-7,11,16-17,26H,8-10,12-13H2,(H,21,23)(H,22,27)/t16-,17+/m1/s1