dimethyl-(phenylmethyl)azanium; (E)-1-[(4-nitrophenyl)methoxy]-3-oxidanylidene-2-(2-oxidanylideneazetidin-1-yl)pent-1-en-1-olate

Systemtic Name: dimethyl-(phenylmethyl)azanium; (E)-1-[(4-nitrophenyl)methoxy]-3-oxidanylidene-2-(2-oxidanylideneazetidin-1-yl)pent-1-en-1-olate Openeye Name: benzyl(dimethyl)ammonium; (E)-1-[(4-nitrophenyl)methoxy]-3-oxo-2-(2-oxoazetidin-1-yl)pent-1-en-1-olate CAS Name: dimethyl-(phenylmethyl)ammonium; (E)-1-[(4-nitrophenyl)methoxy]-3-oxo-2-(2-oxo-1-azetidinyl)-1-penten-1-olate IUPAC Name: benzyl(dimethyl)azanium; (E)-1-[(4-nitrophenyl)methoxy]-3-oxo-2-(2-oxoazetidin-1-yl)pent-1-en-1-olate Traditional Name: benzyl(dimethyl)ammonium; (E)-3-keto-2-(2-ketoazetidin-1-yl)-1-(4-nitrobenzyl)oxy-pent-1-en-1-olate Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=C([O-])OCC1=CC=C(C=C1)[N+](=O)[O-])N2CCC2=O.C[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CCC(=O)/C(=C(/[O-])\OCC1=CC=C(C=C1)[N+](=O)[O-])/N2CCC2=O.C[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C15H16N2O6.C9H13N/c1-2-12(18)14(16-8-7-13(16)19)15(20)23-9-10-3-5-11(6-4-10)17(21)22;1-10(2)8-9-6-4-3-5-7-9/h3-6,20H,2,7-9H2,1H3;3-7H,8H2,1-2H3/b15-14+;