[(S)-(4-chloranyl-2-fluoranyl-phenyl)-(2-methoxy-5-nitro-phenyl)methyl]azanium

Systemtic Name: [(S)-(4-chloranyl-2-fluoranyl-phenyl)-(2-methoxy-5-nitro-phenyl)methyl]azanium Openeye Name: [(S)-(4-chloro-2-fluoro-phenyl)-(2-methoxy-5-nitro-phenyl)methyl]ammonium CAS Name: [(S)-(4-chloro-2-fluorophenyl)-(2-methoxy-5-nitrophenyl)methyl]ammonium IUPAC Name: [(S)-(4-chloro-2-fluorophenyl)-(2-methoxy-5-nitrophenyl)methyl]azanium Traditional Name: [(S)-(4-chloro-2-fluoro-phenyl)-(2-methoxy-5-nitro-phenyl)methyl]ammonium Formula: C14H13ClFN2O3+ MolecularWeight: 311.716023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClFN2O3/c1-21-13-5-3-9(18(19)20)7-11(13)14(17)10-4-2-8(15)6-12(10)16/h2-7,14H,17H2,1H3/p+1/t14-/m1/s1