(E)-2-diazonio-1-[1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidin-2-yl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidin-2-yl]ethenolate Openeye Name: (E)-1-[1-[2-(benzyloxycarbonylamino)acetyl]pyrrolidin-2-yl]-2-diazonio-ethenolate CAS Name: (E)-2-diazonio-1-[1-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]-2-pyrrolidinyl]ethenolate IUPAC Name: (E)-2-diazonio-1-[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidin-2-yl]ethenolate Traditional Name: (E)-1-[1-[2-(benzyloxycarbonylamino)acetyl]pyrrolidin-2-yl]-2-diazonio-ethenolate Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)C(=C[N+]#N)[O-]

Isomeric SMILES

C1CC(N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C16H18N4O4/c17-19-9-14(21)13-7-4-8-20(13)15(22)10-18-16(23)24-11-12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10-11H2,(H-,18,21,23)/b14-9+