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

Systemtic Name: [(S)-(5-bromanyl-2-fluoranyl-phenyl)-(2-methyl-5-nitro-phenyl)methyl]azanium Openeye Name: [(S)-(5-bromo-2-fluoro-phenyl)-(2-methyl-5-nitro-phenyl)methyl]ammonium CAS Name: [(S)-(5-bromo-2-fluorophenyl)-(2-methyl-5-nitrophenyl)methyl]ammonium IUPAC Name: [(S)-(5-bromo-2-fluorophenyl)-(2-methyl-5-nitrophenyl)methyl]azanium Traditional Name: [(S)-(5-bromo-2-fluoro-phenyl)-(2-methyl-5-nitro-phenyl)methyl]ammonium Formula: C14H13BrFN2O2+ MolecularWeight: 340.167623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(C2=C(C=CC(=C2)Br)F)[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H](C2=C(C=CC(=C2)Br)F)[NH3+]

InChI

InChI=1S/C14H12BrFN2O2/c1-8-2-4-10(18(19)20)7-11(8)14(17)12-6-9(15)3-5-13(12)16/h2-7,14H,17H2,1H3/p+1/t14-/m0/s1