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

Systemtic Name: [(1R)-1-(4-fluorophenyl)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [(1R)-1-(4-fluorophenyl)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [(1R)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(4-fluorophenyl)ethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [(1R)-1-(4-fluorophenyl)ethyl] ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN2O4/c1-15(16-6-9-18(22)10-7-16)28-21(25)17-8-11-19(20(14-17)24(26)27)23-12-4-2-3-5-13-23/h6-11,14-15H,2-5,12-13H2,1H3/t15-/m1/s1