(E,3S)-1-diazonio-5-phenyl-3-(phenylmethoxycarbonylamino)pent-1-en-2-olate

Systemtic Name: (E,3S)-1-diazonio-5-phenyl-3-(phenylmethoxycarbonylamino)pent-1-en-2-olate Openeye Name: (E,3S)-3-(benzyloxycarbonylamino)-1-diazonio-5-phenyl-pent-1-en-2-olate CAS Name: (E,3S)-1-diazonio-5-phenyl-3-(phenylmethoxycarbonylamino)-1-penten-2-olate IUPAC Name: (E,3S)-1-diazonio-5-phenyl-3-(phenylmethoxycarbonylamino)pent-1-en-2-olate Traditional Name: (E,3S)-3-(benzyloxycarbonylamino)-1-diazonio-5-phenyl-pent-1-en-2-olate Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c20-21-13-18(23)17(12-11-15-7-3-1-4-8-15)22-19(24)25-14-16-9-5-2-6-10-16/h1-10,13,17H,11-12,14H2,(H-,22,23,24)/b18-13+/t17-/m0/s1