(E)-1-diazonio-4-(4-fluorophenyl)-3-[(phenylmethyl)carbamoyloxy]but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-4-(4-fluorophenyl)-3-[(phenylmethyl)carbamoyloxy]but-1-en-2-olate Openeye Name: (E)-3-(benzylcarbamoyloxy)-1-diazonio-4-(4-fluorophenyl)but-1-en-2-olate CAS Name: (E)-1-diazonio-4-(4-fluorophenyl)-3-[oxo-[(phenylmethyl)amino]methoxy]-1-buten-2-olate IUPAC Name: (E)-3-(benzylcarbamoyloxy)-1-diazonio-4-(4-fluorophenyl)but-1-en-2-olate Traditional Name: (E)-3-(benzylcarbamoyloxy)-1-diazonio-4-(4-fluorophenyl)but-1-en-2-olate Formula: C18H16FN3O3 MolecularWeight: 341.336343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)OC(CC2=CC=C(C=C2)F)C(=C[N+]#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)OC(CC2=CC=C(C=C2)F)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C18H16FN3O3/c19-15-8-6-13(7-9-15)10-17(16(23)12-22-20)25-18(24)21-11-14-4-2-1-3-5-14/h1-9,12,17H,10-11H2,(H-,21,23,24)/b16-12+