[(2S)-4-(2-fluoranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [(2S)-4-(2-fluoranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [(2S)-4-(2-fluoro-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(2-furyl)methanone CAS Name: [(2S)-4-(2-fluoro-4-nitrophenyl)-2-methyl-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [(2S)-4-(2-fluoro-4-nitrophenyl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [(2S)-4-(2-fluoro-4-nitro-phenyl)-2-methyl-piperazino]-(2-furyl)methanone Formula: C16H16FN3O4 MolecularWeight: 333.314343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CO2)C3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=CC=CO2)C3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C16H16FN3O4/c1-11-10-18(14-5-4-12(20(22)23)9-13(14)17)6-7-19(11)16(21)15-3-2-8-24-15/h2-5,8-9,11H,6-7,10H2,1H3/t11-/m0/s1