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2-fluoranyl-5-nitro-N-[(1S,3R)-5-oxidanyl-2-adamantyl]benzamide

2-fluoranyl-5-nitro-N-[(1S,3R)-5-oxidanyl-2-adamantyl]benzamide

Systemtic Name:2-fluoranyl-5-nitro-N-[(1S,3R)-5-oxidanyl-2-adamantyl]benzamide
Openeye Name:2-fluoro-N-[(1S,3R)-5-hydroxy-2-adamantyl]-5-nitro-benzamide
CAS Name:2-fluoro-N-[(1S,3R)-5-hydroxy-2-adamantyl]-5-nitrobenzamide
IUPAC Name:2-fluoro-N-[(1S,3R)-5-hydroxy-2-adamantyl]-5-nitrobenzamide
Traditional Name:2-fluoro-N-[(1S,3R)-5-hydroxy-2-adamantyl]-5-nitro-benzamide
Formula: C17H19FN2O4
MolecularWeight: 334.342163
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])F)O


Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])F)CC1C3)O


InChI

InChI=1S/C17H19FN2O4/c18-14-2-1-12(20(23)24)5-13(14)16(21)19-15-10-3-9-4-11(15)8-17(22,6-9)7-10/h1-2,5,9-11,15,22H,3-4,6-8H2,(H,19,21)/t9?,10-,11+,15?,17?


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