[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C20H20FN3O5 MolecularWeight: 401.388303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O5/c21-17-7-3-1-5-15(17)13-22-9-11-23(12-10-22)19(25)14-29-20(26)16-6-2-4-8-18(16)24(27)28/h1-8H,9-14H2