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

Systemtic Name: (Z,5S)-1-diazonio-6-oxidanylidene-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)hex-1-en-2-olate Openeye Name: (Z,5S)-6-benzyloxy-5-(benzyloxycarbonylamino)-1-diazonio-6-oxo-hex-1-en-2-olate CAS Name: (Z,5S)-1-diazonio-6-oxo-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)-1-hexen-2-olate IUPAC Name: (Z,5S)-1-diazonio-6-oxo-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)hex-1-en-2-olate Traditional Name: (Z,5S)-6-benzoxy-5-(benzyloxycarbonylamino)-1-diazonio-6-keto-hex-1-en-2-olate Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC(=C[N+]#N)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC/C(=C/[N+]#N)/[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O5/c22-23-13-18(25)11-12-19(20(26)28-14-16-7-3-1-4-8-16)24-21(27)29-15-17-9-5-2-6-10-17/h1-10,13,19H,11-12,14-15H2,(H-,24,25,27)/b18-13-/t19-/m0/s1