1-[(2S)-4-(2-fluoranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-2-(4-fluoranylphenoxy)ethanone

Systemtic Name: 1-[(2S)-4-(2-fluoranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-2-(4-fluoranylphenoxy)ethanone Openeye Name: 1-[(2S)-4-(2-fluoro-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-2-(4-fluorophenoxy)ethanone CAS Name: 1-[(2S)-4-(2-fluoro-4-nitrophenyl)-2-methyl-1-piperazinyl]-2-(4-fluorophenoxy)ethanone IUPAC Name: 1-[(2S)-4-(2-fluoro-4-nitrophenyl)-2-methylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone Traditional Name: 1-[(2S)-4-(2-fluoro-4-nitro-phenyl)-2-methyl-piperazino]-2-(4-fluorophenoxy)ethanone Formula: C19H19F2N3O4 MolecularWeight: 391.368666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COC2=CC=C(C=C2)F)C3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)COC2=CC=C(C=C2)F)C3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H19F2N3O4/c1-13-11-22(18-7-4-15(24(26)27)10-17(18)21)8-9-23(13)19(25)12-28-16-5-2-14(20)3-6-16/h2-7,10,13H,8-9,11-12H2,1H3/t13-/m0/s1