[(S)-(5-bromanyl-2-fluoranyl-phenyl)-(2-ethyl-5-nitro-phenyl)methyl]azanium

Systemtic Name: [(S)-(5-bromanyl-2-fluoranyl-phenyl)-(2-ethyl-5-nitro-phenyl)methyl]azanium Openeye Name: [(S)-(5-bromo-2-fluoro-phenyl)-(2-ethyl-5-nitro-phenyl)methyl]ammonium CAS Name: [(S)-(5-bromo-2-fluorophenyl)-(2-ethyl-5-nitrophenyl)methyl]ammonium IUPAC Name: [(S)-(5-bromo-2-fluorophenyl)-(2-ethyl-5-nitrophenyl)methyl]azanium Traditional Name: [(S)-(5-bromo-2-fluoro-phenyl)-(2-ethyl-5-nitro-phenyl)methyl]ammonium Formula: C15H15BrFN2O2+ MolecularWeight: 354.194203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)[N+](=O)[O-])C(C2=C(C=CC(=C2)Br)F)[NH3+]

Isomeric SMILES

CCC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H](C2=C(C=CC(=C2)Br)F)[NH3+]

InChI

InChI=1S/C15H14BrFN2O2/c1-2-9-3-5-11(19(20)21)8-12(9)15(18)13-7-10(16)4-6-14(13)17/h3-8,15H,2,18H2,1H3/p+1/t15-/m0/s1