(E)-2-diazonio-1-[(E)-3-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]prop-2-enoxy]ethenolate

Systemtic Name: (E)-2-diazonio-1-[(E)-3-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]prop-2-enoxy]ethenolate Openeye Name: (E)-1-[(E)-3-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]allyloxy]-2-diazonio-ethenolate CAS Name: (E)-2-diazonio-1-[(E)-3-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]prop-2-enoxy]ethenolate IUPAC Name: (E)-2-diazonio-1-[(E)-3-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]prop-2-enoxy]ethenolate Traditional Name: (E)-1-[(E)-3-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]allyloxy]-2-diazonio-ethenolate Formula: C19H16FN3O4 MolecularWeight: 369.346443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)C=CCOC(=C[N+]#N)[O-])F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)/C=C/CO/C(=C/[N+]#N)/[O-])F

InChI

InChI=1S/C19H16FN3O4/c20-17-11-16(23-19(25)27-13-14-5-2-1-3-6-14)9-8-15(17)7-4-10-26-18(24)12-22-21/h1-9,11-12H,10,13H2,(H-,23,24,25)/b7-4+,18-12+