[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H20FN3O6 MolecularWeight: 417.387703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O6/c1-29-18-7-6-14(24(27)28)12-15(18)20(26)30-13-19(25)23-10-8-22(9-11-23)17-5-3-2-4-16(17)21/h2-7,12H,8-11,13H2,1H3