(Z,5S)-1-diazonio-6-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hex-1-en-2-olate

Systemtic Name: (Z,5S)-1-diazonio-6-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hex-1-en-2-olate Openeye Name: (Z,5S)-5-(tert-butoxycarbonylamino)-1-diazonio-6-ethoxy-6-oxo-hex-1-en-2-olate CAS Name: (Z,5S)-1-diazonio-6-ethoxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-1-hexen-2-olate IUPAC Name: (Z,5S)-1-diazonio-6-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohex-1-en-2-olate Traditional Name: (Z,5S)-5-(tert-butoxycarbonylamino)-1-diazonio-6-ethoxy-6-keto-hex-1-en-2-olate Formula: C13H21N3O5 MolecularWeight: 299.32294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=C[N+]#N)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O5/c1-5-20-11(18)10(7-6-9(17)8-15-14)16-12(19)21-13(2,3)4/h8,10H,5-7H2,1-4H3,(H-,16,17,19)/b9-8-/t10-/m0/s1