(4-nitrophenyl)methyl 1-[[2-(3-oxidanylazetidin-1-yl)-1,3-thiazol-4-yl]carbonyl]piperazine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-[[2-(3-oxidanylazetidin-1-yl)-1,3-thiazol-4-yl]carbonyl]piperazine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-[2-(3-hydroxyazetidin-1-yl)thiazole-4-carbonyl]piperazine-2-carboxylate CAS Name: 1-[[2-(3-hydroxy-1-azetidinyl)-4-thiazolyl]-oxomethyl]-2-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-[2-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carbonyl]piperazine-2-carboxylate Traditional Name: 1-[2-(3-hydroxyazetidin-1-yl)thiazole-4-carbonyl]piperazine-2-carboxylic acid (4-nitrobenzyl) ester Formula: C19H21N5O6S MolecularWeight: 447.46494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CSC(=N3)N4CC(C4)O

Isomeric SMILES

C1CN(C(CN1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CSC(=N3)N4CC(C4)O

InChI

InChI=1S/C19H21N5O6S/c25-14-8-22(9-14)19-21-15(11-31-19)17(26)23-6-5-20-7-16(23)18(27)30-10-12-1-3-13(4-2-12)24(28)29/h1-4,11,14,16,20,25H,5-10H2