2,3-dihydro-1-benzofuran-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1-benzofuran-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: 2,3-dihydrobenzofuran-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: 2,3-dihydrobenzofuran-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1-benzofuran-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: coumaran-5-yl-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H18F3N3O4 MolecularWeight: 421.36983

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3N3O4/c21-20(22,23)15-2-3-16(17(12-15)26(28)29)24-6-8-25(9-7-24)19(27)14-1-4-18-13(11-14)5-10-30-18/h1-4,11-12H,5-10H2