[(1S)-1-(4-fluorophenyl)ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [(1S)-1-(4-fluorophenyl)ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [(1S)-1-(4-fluorophenyl)ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [(1S)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-fluorophenyl)ethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [(1S)-1-(4-fluorophenyl)ethyl] ester Formula: C16H14FNO4 MolecularWeight: 303.285063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FNO4/c1-10-14(4-3-5-15(10)18(20)21)16(19)22-11(2)12-6-8-13(17)9-7-12/h3-9,11H,1-2H3/t11-/m0/s1