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

Systemtic Name: (4-nitrophenyl)methyl (E)-4-bromanyl-2-[3-(2-chloranylethanoylamino)-2-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-4-bromo-2-[3-[(2-chloroacetyl)amino]-2-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: (E)-4-bromo-2-[3-[(2-chloro-1-oxoethyl)amino]-2-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-4-bromo-2-[3-[(2-chloroacetyl)amino]-2-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: (E)-4-bromo-2-[3-[(2-chloroacetyl)amino]-2-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester Formula: C17H17BrClN3O6 MolecularWeight: 474.69038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2CC(C2=O)NC(=O)CCl)CBr

Isomeric SMILES

C/C(=C(/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])\N2CC(C2=O)NC(=O)CCl)/CBr

InChI

InChI=1S/C17H17BrClN3O6/c1-10(6-18)15(21-8-13(16(21)24)20-14(23)7-19)17(25)28-9-11-2-4-12(5-3-11)22(26)27/h2-5,13H,6-9H2,1H3,(H,20,23)/b15-10+