(Z,5S)-2-diazonio-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-1-prop-2-enoxy-oct-1-en-1-olate

Systemtic Name: (Z,5S)-2-diazonio-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-1-prop-2-enoxy-oct-1-en-1-olate Openeye Name: (Z,5S)-1-allyloxy-5-(tert-butoxycarbonylamino)-2-diazonio-7-methyl-3-oxo-oct-1-en-1-olate CAS Name: (Z,5S)-2-diazonio-7-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-1-prop-2-enoxy-1-octen-1-olate IUPAC Name: (Z,5S)-2-diazonio-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-1-prop-2-enoxyoct-1-en-1-olate Traditional Name: (Z,5S)-1-allyloxy-5-(tert-butoxycarbonylamino)-2-diazonio-3-keto-7-methyl-oct-1-en-1-olate Formula: C17H27N3O5 MolecularWeight: 353.41338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O5/c1-7-8-24-15(22)14(20-18)13(21)10-12(9-11(2)3)19-16(23)25-17(4,5)6/h7,11-12H,1,8-10H2,2-6H3,(H-,19,21,22,23)/t12-/m0/s1