(4-nitrophenyl)methyl 2-[3-(2-chloranylethanoylamino)-2-fluoranyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(2-chloranylethanoylamino)-2-fluoranyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[3-[(2-chloroacetyl)amino]-2-fluoro-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[3-[(2-chloro-1-oxoethyl)amino]-2-fluoro-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-[(2-chloroacetyl)amino]-2-fluoro-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[3-[(2-chloroacetyl)amino]-2-fluoro-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C17H17ClFN3O6 MolecularWeight: 413.784783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CCl)F

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CCl)F

InChI

InChI=1S/C17H17ClFN3O6/c1-9(2)14(21-15(19)13(16(21)24)20-12(23)7-18)17(25)28-8-10-3-5-11(6-4-10)22(26)27/h3-6,13-15H,1,7-8H2,2H3,(H,20,23)