(Z,5R)-1-diazonio-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-hex-1-en-2-olate

Systemtic Name: (Z,5R)-1-diazonio-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-hex-1-en-2-olate Openeye Name: (Z,5R)-5-(tert-butoxycarbonylamino)-1-diazonio-6-phenyl-hex-1-en-2-olate CAS Name: (Z,5R)-1-diazonio-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-phenyl-1-hexen-2-olate IUPAC Name: (Z,5R)-1-diazonio-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-1-en-2-olate Traditional Name: (Z,5R)-5-(tert-butoxycarbonylamino)-1-diazonio-6-phenyl-hex-1-en-2-olate Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=C[N+]#N)[O-])CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC/C(=C/[N+]#N)/[O-])CC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)20-14(9-10-15(21)12-19-18)11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H-,20,21,22)/b15-12-/t14-/m1/s1