1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(coumaran-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O3/c21-20(22,23)16-2-3-17(18(12-16)26(27)28)25-8-6-24(7-9-25)13-14-1-4-19-15(11-14)5-10-29-19/h1-4,11-12H,5-10,13H2