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

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(2-cyanoethanoylamino)-2-fluoranyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[3-[(2-cyanoacetyl)amino]-2-fluoro-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[3-[(2-cyano-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-cyanoacetyl)amino]-2-fluoro-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[3-[(2-cyanoacetyl)amino]-2-fluoro-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C18H17FN4O6 MolecularWeight: 404.349183

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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)CC#N)F

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O6/c1-10(2)15(22-16(19)14(17(22)25)21-13(24)7-8-20)18(26)29-9-11-3-5-12(6-4-11)23(27)28/h3-6,14-16H,1,7,9H2,2H3,(H,21,24)