2-[(5S,7R)-3-nitrooxy-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-nitrooxy-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-nitrooxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-nitrooxy-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-nitrooxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-nitrooxy-1-adamantyl]acetate Formula: C12H16NO5- MolecularWeight: 254.25914

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C12H17NO5/c14-10(15)6-11-2-8-1-9(3-11)5-12(4-8,7-11)18-13(16)17/h8-9H,1-7H2,(H,14,15)/p-1/t8-,9+,11?,12?