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

Systemtic Name: [(S)-(2-bromanyl-5-fluoranyl-phenyl)-(2-methoxy-5-nitro-phenyl)methyl]azanium Openeye Name: [(S)-(2-bromo-5-fluoro-phenyl)-(2-methoxy-5-nitro-phenyl)methyl]ammonium CAS Name: [(S)-(2-bromo-5-fluorophenyl)-(2-methoxy-5-nitrophenyl)methyl]ammonium IUPAC Name: [(S)-(2-bromo-5-fluorophenyl)-(2-methoxy-5-nitrophenyl)methyl]azanium Traditional Name: [(S)-(2-bromo-5-fluoro-phenyl)-(2-methoxy-5-nitro-phenyl)methyl]ammonium Formula: C14H13BrFN2O3+ MolecularWeight: 356.167023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(C2=C(C=CC(=C2)F)Br)[NH3+]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H](C2=C(C=CC(=C2)F)Br)[NH3+]

InChI

InChI=1S/C14H12BrFN2O3/c1-21-13-5-3-9(18(19)20)7-11(13)14(17)10-6-8(16)2-4-12(10)15/h2-7,14H,17H2,1H3/p+1/t14-/m1/s1