(1Z,5R,6E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-3-oxidanylidene-7-phenyl-1-prop-2-enoxy-hepta-1,6-diene-2-diazonium

Systemtic Name: (1Z,5R,6E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-3-oxidanylidene-7-phenyl-1-prop-2-enoxy-hepta-1,6-diene-2-diazonium Openeye Name: (1Z,5R,6E)-1-allyloxy-5-(tert-butoxycarbonylamino)-1-hydroxy-3-oxo-7-phenyl-hepta-1,6-diene-2-diazonium CAS Name: (1Z,5R,6E)-1-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-7-phenyl-1-prop-2-enoxy-2-hepta-1,6-dienediazonium IUPAC Name: (1Z,5R,6E)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-7-phenyl-1-prop-2-enoxyhepta-1,6-diene-2-diazonium Traditional Name: (1Z,5R,6E)-1-allyloxy-5-(tert-butoxycarbonylamino)-1-hydroxy-3-keto-7-phenyl-hepta-1,6-diene-2-diazonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-5-13-28-19(26)18(24-22)17(25)14-16(23-20(27)29-21(2,3)4)12-11-15-9-7-6-8-10-15/h5-12,16H,1,13-14H2,2-4H3,(H-,23,25,26,27)/p+1/b12-11+/t16-/m0/s1