(E)-4-(4-fluorophenyl)-2-oxidanyl-3-[(phenylmethyl)carbamoyloxy]but-1-ene-1-diazonium

Systemtic Name: (E)-4-(4-fluorophenyl)-2-oxidanyl-3-[(phenylmethyl)carbamoyloxy]but-1-ene-1-diazonium Openeye Name: (E)-3-(benzylcarbamoyloxy)-4-(4-fluorophenyl)-2-hydroxy-but-1-ene-1-diazonium CAS Name: (E)-4-(4-fluorophenyl)-2-hydroxy-3-[oxo-[(phenylmethyl)amino]methoxy]-1-butene-1-diazonium IUPAC Name: (E)-3-(benzylcarbamoyloxy)-4-(4-fluorophenyl)-2-hydroxybut-1-ene-1-diazonium Traditional Name: (E)-3-(benzylcarbamoyloxy)-4-(4-fluorophenyl)-2-hydroxy-but-1-ene-1-diazonium Formula: C18H17FN3O3+ MolecularWeight: 342.344283

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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)/p+1/b16-12+