[(3S)-5-(4-bromanyl-2-fluoranyl-phenoxy)-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-5-(4-bromanyl-2-fluoranyl-phenoxy)-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-4-(4-bromo-2-fluoro-phenoxy)-2-cyano-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3S)-5-(4-bromo-2-fluorophenoxy)-3-cyano-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-5-(4-bromo-2-fluorophenoxy)-3-cyano-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-3-(4-bromo-2-fluoro-phenoxy)-1-cyano-2-keto-propyl]vinylammonium Formula: C12H11BrFN2O2+ MolecularWeight: 314.130343

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC1=C(C=C(C=C1)Br)F)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC1=C(C=C(C=C1)Br)F)[NH3+]

InChI

InChI=1S/C12H10BrFN2O2/c1-7(16)9(5-15)11(17)6-18-12-3-2-8(13)4-10(12)14/h2-4,9H,1,6,16H2/p+1/t9-/m1/s1