2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H19FN4O6 MolecularWeight: 454.407863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H19FN4O6/c1-13(28)14-5-6-17(16(23)11-14)24-7-9-25(10-8-24)19(29)12-26-21(30)15-3-2-4-18(27(32)33)20(15)22(26)31/h2-6,11H,7-10,12H2,1H3