(Z,5S)-1-diazonio-6-oxidanylidene-6-phenacyloxy-5-(phenylmethoxycarbonylamino)hex-1-en-2-olate

Systemtic Name: (Z,5S)-1-diazonio-6-oxidanylidene-6-phenacyloxy-5-(phenylmethoxycarbonylamino)hex-1-en-2-olate Openeye Name: (Z,5S)-5-(benzyloxycarbonylamino)-1-diazonio-6-oxo-6-phenacyloxy-hex-1-en-2-olate CAS Name: (Z,5S)-1-diazonio-6-oxo-6-phenacyloxy-5-(phenylmethoxycarbonylamino)-1-hexen-2-olate IUPAC Name: (Z,5S)-1-diazonio-6-oxo-6-phenacyloxy-5-(phenylmethoxycarbonylamino)hex-1-en-2-olate Traditional Name: (Z,5S)-5-(benzyloxycarbonylamino)-1-diazonio-6-keto-6-phenacyloxy-hex-1-en-2-olate Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=C[N+]#N)[O-])C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC/C(=C/[N+]#N)/[O-])C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H21N3O6/c23-24-13-18(26)11-12-19(25-22(29)31-14-16-7-3-1-4-8-16)21(28)30-15-20(27)17-9-5-2-6-10-17/h1-10,13,19H,11-12,14-15H2,(H-,25,26,29)/b18-13-/t19-/m0/s1