2-[2-[4-(6-fluoranyl-2H-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(6-fluoranyl-2H-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(6-fluoro-2H-1,3-benzoxazol-3-yl)-1-piperidyl]ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(6-fluoro-2H-1,3-benzoxazol-3-yl)-1-piperidinyl]ethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(6-fluoro-2H-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(6-fluoro-2H-1,3-benzoxazol-3-yl)piperidino]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H21FN4O5 MolecularWeight: 440.424343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2COC3=C2C=CC(=C3)F)CCN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2COC3=C2C=CC(=C3)F)CCN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN4O5/c23-14-1-4-19-20(11-14)32-13-26(19)15-5-7-24(8-6-15)9-10-25-21(28)17-3-2-16(27(30)31)12-18(17)22(25)29/h1-4,11-12,15H,5-10,13H2