(E)-6-azido-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-1-[(4-nitrophenyl)methoxy]-3-oxidanylidene-hex-1-en-1-olate

Systemtic Name: (E)-6-azido-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-1-[(4-nitrophenyl)methoxy]-3-oxidanylidene-hex-1-en-1-olate Openeye Name: (E)-6-azido-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxo-azetidin-2-yl]-1-[(4-nitrophenyl)methoxy]-3-oxo-hex-1-en-1-olate CAS Name: (E)-6-azido-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxo-2-azetidinyl]-1-[(4-nitrophenyl)methoxy]-3-oxo-1-hexen-1-olate IUPAC Name: (E)-6-azido-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-1-[(4-nitrophenyl)methoxy]-3-oxohex-1-en-1-olate Traditional Name: (E)-6-azido-2-diazonio-4-[3-(1-hydroxyethyl)-4-keto-azetidin-2-yl]-3-keto-1-(4-nitrobenzyl)oxy-hex-1-en-1-olate Formula: C18H19N7O7 MolecularWeight: 445.38616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O7/c1-9(26)13-14(22-17(13)28)12(6-7-21-24-20)16(27)15(23-19)18(29)32-8-10-2-4-11(5-3-10)25(30)31/h2-5,9,12-14,26H,6-8H2,1H3,(H-,22,27,28,29)