(E)-1-diazonio-4-phenyl-3-(phenylmethoxycarbonylamino)but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-4-phenyl-3-(phenylmethoxycarbonylamino)but-1-en-2-olate Openeye Name: (E)-3-(benzyloxycarbonylamino)-1-diazonio-4-phenyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-4-phenyl-3-(phenylmethoxycarbonylamino)-1-buten-2-olate IUPAC Name: (E)-1-diazonio-4-phenyl-3-(phenylmethoxycarbonylamino)but-1-en-2-olate Traditional Name: (E)-3-(benzyloxycarbonylamino)-1-diazonio-4-phenyl-but-1-en-2-olate Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,12,16H,11,13H2,(H-,21,22,23)/b17-12+