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

Systemtic Name: 2-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(6-fluoroindoxazen-3-yl)piperidino]ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H19FN4O5 MolecularWeight: 438.408463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H19FN4O5/c23-14-4-5-15-18(12-14)32-24-20(15)13-6-8-25(9-7-13)10-11-26-21(28)16-2-1-3-17(27(30)31)19(16)22(26)29/h1-5,12-13H,6-11H2