(E,5R)-2-diazonio-1-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-5-phenyl-pent-1-en-1-olate

Systemtic Name: (E,5R)-2-diazonio-1-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-5-phenyl-pent-1-en-1-olate Openeye Name: (E,5R)-5-(tert-butoxycarbonylamino)-2-diazonio-1-methoxy-3-oxo-5-phenyl-pent-1-en-1-olate CAS Name: (E,5R)-2-diazonio-1-methoxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-5-phenyl-1-penten-1-olate IUPAC Name: (E,5R)-2-diazonio-1-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-5-phenylpent-1-en-1-olate Traditional Name: (E,5R)-5-(tert-butoxycarbonylamino)-2-diazonio-3-keto-1-methoxy-5-phenyl-pent-1-en-1-olate Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)C(=C([O-])OC)[N+]#N)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC(=O)/C(=C(/[O-])\OC)/[N+]#N)C1=CC=CC=C1

InChI

InChI=1S/C17H21N3O5/c1-17(2,3)25-16(23)19-12(11-8-6-5-7-9-11)10-13(21)14(20-18)15(22)24-4/h5-9,12H,10H2,1-4H3,(H-,19,21,22,23)/t12-/m1/s1