(4-nitrophenyl)methyl (E)-4-[3,3-bis(bromanyl)-2-oxidanylidene-1-sulfanidyl-azetidin-1-ium-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-4-[3,3-bis(bromanyl)-2-oxidanylidene-1-sulfanidyl-azetidin-1-ium-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl (E)-4-(3,3-dibromo-2-oxo-1-sulfido-azetidin-1-ium-1-yl)-3-methyl-but-3-enoate CAS Name: (E)-4-(3,3-dibromo-2-oxo-1-sulfido-1-azetidin-1-iumyl)-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-4-(3,3-dibromo-2-oxo-1-sulfidoazetidin-1-ium-1-yl)-3-methylbut-3-enoate Traditional Name: (E)-4-(3,3-dibromo-2-keto-1-sulfido-azetidin-1-ium-1-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C15H14Br2N2O5S MolecularWeight: 494.15506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C[N+]1(CC(C1=O)(Br)Br)[S-])CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\[N+]1(CC(C1=O)(Br)Br)[S-])/CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14Br2N2O5S/c1-10(7-19(25)9-15(16,17)14(19)21)6-13(20)24-8-11-2-4-12(5-3-11)18(22)23/h2-5,7H,6,8-9H2,1H3/b10-7+