(E)-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium

Systemtic Name: (E)-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium Openeye Name: (E)-1-hydroxy-4-[3-(1-hydroxyethyl)-4-oxo-azetidin-2-yl]-1-[(4-nitrophenyl)methoxy]-3-oxo-but-1-ene-2-diazonium CAS Name: (E)-1-hydroxy-4-[3-(1-hydroxyethyl)-4-oxo-2-azetidinyl]-1-[(4-nitrophenyl)methoxy]-3-oxo-1-butene-2-diazonium IUPAC Name: (E)-1-hydroxy-4-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-ene-2-diazonium Traditional Name: (E)-1-hydroxy-4-[3-(1-hydroxyethyl)-4-keto-azetidin-2-yl]-3-keto-1-(4-nitrobenzyl)oxy-but-1-ene-2-diazonium Formula: C16H17N4O7+ MolecularWeight: 377.32878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(NC1=O)CC(=O)C(=C(O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+]#N)O

Isomeric SMILES

CC(C1C(NC1=O)CC(=O)/C(=C(/O)\OCC2=CC=C(C=C2)[N+](=O)[O-])/[N+]#N)O

InChI

InChI=1S/C16H16N4O7/c1-8(21)13-11(18-15(13)23)6-12(22)14(19-17)16(24)27-7-9-2-4-10(5-3-9)20(25)26/h2-5,8,11,13,21H,6-7H2,1H3,(H-,18,22,23,24)/p+1