[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2-bromo-4-fluoro-phenoxy)acetate CAS Name: 2-(2-bromo-4-fluorophenoxy)acetic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)acetic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C20H19BrFN3O6 MolecularWeight: 496.283763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H19BrFN3O6/c21-17-11-14(22)1-6-18(17)30-13-20(27)31-12-19(26)24-9-7-23(8-10-24)15-2-4-16(5-3-15)25(28)29/h1-6,11H,7-10,12-13H2