[(1R)-1-(4-fluorophenyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [(1R)-1-(4-fluorophenyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [(1R)-1-(4-fluorophenyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [(1R)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(4-fluorophenyl)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [(1R)-1-(4-fluorophenyl)ethyl] ester Formula: C19H19FN2O4 MolecularWeight: 358.363563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN2O4/c1-13(14-4-7-16(20)8-5-14)26-19(23)15-6-9-17(18(12-15)22(24)25)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11H2,1H3/t13-/m1/s1