(Z,3S)-1-diazonio-3-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]but-1-en-2-olate

Systemtic Name: (Z,3S)-1-diazonio-3-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]but-1-en-2-olate Openeye Name: (Z,3S)-3-[[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]amino]-1-diazonio-but-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-3-[[oxo-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methyl]amino]-1-buten-2-olate IUPAC Name: (Z,3S)-1-diazonio-3-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]but-1-en-2-olate Traditional Name: (Z,3S)-3-[[(2S)-1-carbobenzoxyprolyl]amino]-1-diazonio-but-1-en-2-olate Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C[N+]#N)[O-])NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](/C(=C/[N+]#N)/[O-])NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H20N4O4/c1-12(15(22)10-19-18)20-16(23)14-8-5-9-21(14)17(24)25-11-13-6-3-2-4-7-13/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H-,20,22,23)/b15-10-/t12-,14-/m0/s1