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

Systemtic Name: 4-ethyl-6-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 4-ethyl-6-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-5-nitro-isoindoline-1,3-dione CAS Name: 4-ethyl-6-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 4-ethyl-6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-nitroisoindole-1,3-dione Traditional Name: 4-ethyl-6-[4-(6-fluoroindoxazen-3-yl)piperidino]-5-nitro-isoindoline-1,3-quinone Formula: C22H19FN4O5 MolecularWeight: 438.408463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1[N+](=O)[O-])N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C(=O)NC2=O

Isomeric SMILES

CCC1=C2C(=CC(=C1[N+](=O)[O-])N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C(=O)NC2=O

InChI

InChI=1S/C22H19FN4O5/c1-2-13-18-15(21(28)24-22(18)29)10-16(20(13)27(30)31)26-7-5-11(6-8-26)19-14-4-3-12(23)9-17(14)32-25-19/h3-4,9-11H,2,5-8H2,1H3,(H,24,28,29)