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

Systemtic Name: 1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine Openeye Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine CAS Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine IUPAC Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine Traditional Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(coumaran-5-ylmethyl)piperazine Formula: C20H19ClF3N3O3 MolecularWeight: 441.83137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClF3N3O3/c21-16-11-17(18(27(28)29)10-15(16)20(22,23)24)26-6-4-25(5-7-26)12-13-1-2-19-14(9-13)3-8-30-19/h1-2,9-11H,3-8,12H2