(4-nitrophenyl)methyl (2Z)-2-(2-bromanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-oxidanyl-1,3-dithiolan-2-ylidene)ethanoate

Systemtic Name: (4-nitrophenyl)methyl (2Z)-2-(2-bromanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-oxidanyl-1,3-dithiolan-2-ylidene)ethanoate Openeye Name: (4-nitrophenyl)methyl (2Z)-2-(2-bromo-4-oxo-azetidin-1-yl)-2-(4-hydroxy-1,3-dithiolan-2-ylidene)acetate CAS Name: (2Z)-2-(2-bromo-4-oxo-1-azetidinyl)-2-(4-hydroxy-1,3-dithiolan-2-ylidene)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2Z)-2-(2-bromo-4-oxoazetidin-1-yl)-2-(4-hydroxy-1,3-dithiolan-2-ylidene)acetate Traditional Name: (2Z)-2-(2-bromo-4-keto-azetidin-1-yl)-2-(4-hydroxy-1,3-dithiolan-2-ylidene)acetic acid (4-nitrobenzyl) ester Formula: C15H13BrN2O6S2 MolecularWeight: 461.30752

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)C(=C2SCC(S2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1C(N(C1=O)/C(=C\2/SCC(S2)O)/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H13BrN2O6S2/c16-10-5-11(19)17(10)13(15-25-7-12(20)26-15)14(21)24-6-8-1-3-9(4-2-8)18(22)23/h1-4,10,12,20H,5-7H2/b15-13-