(phenylmethyl) 2-[3,3-bis(bromanyl)-2-nitrooxy-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: (phenylmethyl) 2-[3,3-bis(bromanyl)-2-nitrooxy-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-(3,3-dibromo-2-nitrooxy-4-oxo-azetidin-1-yl)-3-methyl-but-2-enoate CAS Name: 2-(3,3-dibromo-2-nitrooxy-4-oxo-1-azetidinyl)-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3,3-dibromo-2-nitrooxy-4-oxoazetidin-1-yl)-3-methylbut-2-enoate Traditional Name: 2-(3,3-dibromo-2-keto-4-nitrooxy-azetidin-1-yl)-3-methyl-but-2-enoic acid benzyl ester Formula: C15H14Br2N2O6 MolecularWeight: 478.08946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)(Br)Br)O[N+](=O)[O-])C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)(Br)Br)O[N+](=O)[O-])C

InChI

InChI=1S/C15H14Br2N2O6/c1-9(2)11(12(20)24-8-10-6-4-3-5-7-10)18-13(21)15(16,17)14(18)25-19(22)23/h3-7,14H,8H2,1-2H3