(E)-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-3-oxidanylidene-1-phenylmethoxy-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-3-oxidanylidene-1-phenylmethoxy-but-1-en-1-olate Openeye Name: (E)-1-benzyloxy-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxo-azetidin-2-yl]-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxo-2-azetidinyl]-3-oxo-1-phenylmethoxy-1-buten-1-olate IUPAC Name: (E)-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-3-oxo-1-phenylmethoxybut-1-en-1-olate Traditional Name: (E)-1-benzoxy-2-diazonio-4-[3-(1-hydroxyethyl)-4-keto-azetidin-2-yl]-3-keto-but-1-en-1-olate Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-9(20)13-11(18-15(13)22)7-12(21)14(19-17)16(23)24-8-10-5-3-2-4-6-10/h2-6,9,11,13,20H,7-8H2,1H3,(H-,18,21,22,23)